ChemSpider 2D Image | (2S)-2-{(3S)-4-[4-(Dimethylamino)benzyl]-3-isobutyl-2,5-dioxo-1,4-diazepan-1-yl}-N-methyl-3-(2-naphthyl)propanamide | C32H40N4O3

(2S)-2-{(3S)-4-[4-(Dimethylamino)benzyl]-3-isobutyl-2,5-dioxo-1,4-diazepan-1-yl}-N-methyl-3-(2-naphthyl)propanamide

  • Molecular FormulaC32H40N4O3
  • Average mass528.685 Da
  • Monoisotopic mass528.310059 Da
  • ChemSpider ID8384119

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-[(3S)-4-[4-(dimethylamino)benzyl]-3-(2-methylpropyl)-2,5-dioxo-1,4-diazepan-1-yl]-N-methyl-3-(naphthalen-2-yl)propanamide
(2S)-2-{(3S)-4-[4-(Dimethylamino)benzyl]-3-isobutyl-2,5-dioxo-1,4-diazepan-1-yl}-N-methyl-3-(2-naphthyl)propanamid [German] [ACD/IUPAC Name]
(2S)-2-{(3S)-4-[4-(Dimethylamino)benzyl]-3-isobutyl-2,5-dioxo-1,4-diazepan-1-yl}-N-methyl-3-(2-naphthyl)propanamide [ACD/IUPAC Name]
(2S)-2-{(3S)-4-[4-(Diméthylamino)benzyl]-3-isobutyl-2,5-dioxo-1,4-diazépan-1-yl}-N-méthyl-3-(2-naphtyl)propanamide [French] [ACD/IUPAC Name]
1H-1,4-Diazepine-1-acetamide, 4-[[4-(dimethylamino)phenyl]methyl]hexahydro-N-methyl-3-(2-methylpropyl)-α-(2-naphthalenylmethyl)-2,5-dioxo-, (αS,3S)- [ACD/Index Name]
(S)-2-[(S)-4-(4-Dimethylamino-benzyl)-3-isobutyl-2,5-dioxo-[1,4]diazepan-1-yl]-N-methyl-3-naphthalen-2-yl-propionamide
CHEMBL179286

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

Density: 1.2±0.1 g/cm3
Boiling Point: 798.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.2±3.0 kJ/mol
Flash Point: 436.9±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 156.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.84
ACD/BCF (pH 5.5): 2691.49
ACD/KOC (pH 5.5): 9482.38
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3154.57
ACD/KOC (pH 7.4): 11113.88
Polar Surface Area: 73 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 455.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement