ChemSpider 2D Image | (2S)-5-Oxo-5-{4-[3-(4-piperidinyl)propyl]-1-piperidinyl}-2-{[(4-propylphenyl)sulfonyl]amino}pentanoic acid | C27H43N3O5S

(2S)-5-Oxo-5-{4-[3-(4-piperidinyl)propyl]-1-piperidinyl}-2-{[(4-propylphenyl)sulfonyl]amino}pentanoic acid

  • Molecular FormulaC27H43N3O5S
  • Average mass521.712 Da
  • Monoisotopic mass521.292358 Da
  • ChemSpider ID8431665

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-5-Oxo-5-{4-[3-(4-piperidinyl)propyl]-1-piperidinyl}-2-{[(4-propylphenyl)sulfonyl]amino}pentanoic acid [ACD/IUPAC Name]
(2S)-5-Oxo-5-{4-[3-(4-piperidinyl)propyl]-1-piperidinyl}-2-{[(4-propylphenyl)sulfonyl]amino}pentansäure [German] [ACD/IUPAC Name]
(2S)-5-oxo-5-{4-[3-(piperidin-4-yl)propyl]piperidin-1-yl}-2-{[(4-propylphenyl)sulfonyl]amino}pentanoic acid
1-Piperidinepentanoic acid, δ-oxo-4-[3-(4-piperidinyl)propyl]-α-[[(4-propylphenyl)sulfonyl]amino]-, (αS)- [ACD/Index Name]
Acide (2S)-5-oxo-5-{4-[3-(4-pipéridinyl)propyl]-1-pipéridinyl}-2-{[(4-propylphényl)sulfonyl]amino}pentanoïque [French] [ACD/IUPAC Name]
(S)-5-Oxo-5-[4-(3-piperidin-4-yl-propyl)-piperidin-1-yl]-2-(4-propyl-benzenesulfonylamino)-pentanoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL283049/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 717.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 387.9±35.7 °C
Index of Refraction: 1.542
Molar Refractivity: 141.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 3.64
ACD/KOC (pH 5.5): 17.10
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 3.65
ACD/KOC (pH 7.4): 17.11
Polar Surface Area: 124 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 450.2±3.0 cm3

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