ChemSpider 2D Image | N-(2-Methoxyethyl)-N'-{1-[7-(8-methyl-1-naphthyl)-2-{[(2S)-1-methyl-2-pyrrolidinyl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-4-piperidinyl}carbodiimide | C33H43N7O2

N-(2-Methoxyethyl)-N'-{1-[7-(8-methyl-1-naphthyl)-2-{[(2S)-1-methyl-2-pyrrolidinyl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-4-piperidinyl}carbodiimide

  • Molecular FormulaC33H43N7O2
  • Average mass569.740 Da
  • Monoisotopic mass569.347839 Da
  • ChemSpider ID115009968

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-Piperidinamine, N-[(2-methoxyethyl)carbonimidoyl]-1-[5,6,7,8-tetrahydro-7-(8-methyl-1-naphthalenyl)-2-[[(2S)-1-methyl-2-pyrrolidinyl]methoxy]pyrido[3,4-d]pyrimidin-4-yl]- [ACD/Index Name]
N-(2-Methoxyethyl)-N'-{1-[7-(8-methyl-1-naphthyl)-2-{[(2S)-1-methyl-2-pyrrolidinyl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-4-piperidinyl}carbodiimid [German] [ACD/IUPAC Name]
N-(2-Methoxyethyl)-N'-{1-[7-(8-methyl-1-naphthyl)-2-{[(2S)-1-methyl-2-pyrrolidinyl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-4-piperidinyl}carbodiimide [ACD/IUPAC Name]
N-(2-Méthoxyéthyl)-N'-{1-[7-(8-méthyl-1-naphtyl)-2-{[(2S)-1-méthyl-2-pyrrolidinyl]méthoxy}-5,6,7,8-tétrahydropyrido[3,4-d]pyrimidin-4-yl]-4-pipéridinyl}carbodiimide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 733.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 397.4±35.7 °C
Index of Refraction: 1.651
Molar Refractivity: 165.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 2.91
ACD/KOC (pH 5.5): 9.86
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 61.88
ACD/KOC (pH 7.4): 209.98
Polar Surface Area: 79 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 453.4±7.0 cm3

Click to predict properties on the Chemicalize site


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