ChemSpider 2D Image | (3S,4S)-4-({Isopropyl[4-methoxy-3-(3-methoxypropoxy)benzoyl]amino}methyl)-3-pyrrolidinyl methyl[2-(1-pyrrolidinyl)benzyl]carbamate | C33H48N4O6

(3S,4S)-4-({Isopropyl[4-methoxy-3-(3-methoxypropoxy)benzoyl]amino}methyl)-3-pyrrolidinyl methyl[2-(1-pyrrolidinyl)benzyl]carbamate

  • Molecular FormulaC33H48N4O6
  • Average mass596.757 Da
  • Monoisotopic mass596.357361 Da
  • ChemSpider ID58991977

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-4-({Isopropyl[4-methoxy-3-(3-methoxypropoxy)benzoyl]amino}methyl)-3-pyrrolidinyl methyl[2-(1-pyrrolidinyl)benzyl]carbamate [ACD/IUPAC Name]
(3S,4S)-4-({Isopropyl[4-methoxy-3-(3-methoxypropoxy)benzoyl]amino}methyl)-3-pyrrolidinyl-methyl[2-(1-pyrrolidinyl)benzyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-methyl-N-[[2-(1-pyrrolidinyl)phenyl]methyl]-, (3S,4S)-4-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl](1-methylethyl)amino]methyl]-3-pyrrolidinyl ester [ACD/Index Name]
Méthyl[2-(1-pyrrolidinyl)benzyl]carbamate de (3S,4S)-4-({isopropyl[4-méthoxy-3-(3-méthoxypropoxy)benzoyl]amino}méthyl)-3-pyrrolidinyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 736.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 399.5±32.9 °C
Index of Refraction: 1.586
Molar Refractivity: 167.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.55
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 40.57
ACD/KOC (pH 7.4): 246.62
Polar Surface Area: 93 Å2
Polarizability: 66.2±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 497.7±5.0 cm3

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