ChemSpider 2D Image | (1R,3aS,10aR,10bS)-1-{4-[(Cyclopropylmethyl)amino]-4-oxobutyl}-N-(3-methylbutyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide | C25H44N4O2

(1R,3aS,10aR,10bS)-1-{4-[(Cyclopropylmethyl)amino]-4-oxobutyl}-N-(3-methylbutyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide

  • Molecular FormulaC25H44N4O2
  • Average mass432.642 Da
  • Monoisotopic mass432.346436 Da
  • ChemSpider ID65152442

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,3aS,10aR,10bS)-1-{4-[(Cyclopropylmethyl)amino]-4-oxobutyl}-N-(3-methylbutyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-2(3H)-carboxamid [German] [ACD/IUPAC Name]
(1R,3aS,10aR,10bS)-1-{4-[(Cyclopropylmethyl)amino]-4-oxobutyl}-N-(3-methylbutyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridine-2(3H)-carboxamide [ACD/IUPAC Name]
(1R,3aS,10aR,10bS)-1-{4-[(Cyclopropylméthyl)amino]-4-oxobutyl}-N-(3-méthylbutyl)octahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphtyridine-2(3H)-carboxamide [French] [ACD/IUPAC Name]
1H,4H-Pyrido[3,2,1-ij][1,6]naphthyridine-1-butanamide, N-(cyclopropylmethyl)decahydro-2-[[(3-methylbutyl)amino]carbonyl]-, (1R,3aS,10aR,10bS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 651.7±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.9±29.6 °C
Index of Refraction: 1.556
Molar Refractivity: 124.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.11
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 5.69
ACD/KOC (pH 7.4): 31.92
Polar Surface Area: 65 Å2
Polarizability: 49.5±0.5 10-24cm3
Surface Tension: 47.7±5.0 dyne/cm
Molar Volume: 388.5±5.0 cm3

Click to predict properties on the Chemicalize site


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