ChemSpider 2D Image | (3S,4S)-4-({Isopropyl[4-methoxy-3-(3-methoxypropoxy)benzoyl]amino}methyl)-3-pyrrolidinyl benzyl(methyl)carbamate | C29H41N3O6

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

  • Molecular FormulaC29H41N3O6
  • Average mass527.652 Da
  • Monoisotopic mass527.299561 Da
  • ChemSpider ID58988332

  • 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 benzyl(methyl)carbamate [ACD/IUPAC Name]
(3S,4S)-4-({Isopropyl[4-methoxy-3-(3-methoxypropoxy)benzoyl]amino}methyl)-3-pyrrolidinyl-benzyl(methyl)carbamat [German] [ACD/IUPAC Name]
Benzyl(méthyl)carbamate de (3S,4S)-4-({isopropyl[4-méthoxy-3-(3-méthoxypropoxy)benzoyl]amino}méthyl)-3-pyrrolidinyle [French] [ACD/IUPAC Name]
Carbamic acid, N-methyl-N-(phenylmethyl)-, (3S,4S)-4-[[[4-methoxy-3-(3-methoxypropoxy)benzoyl](1-methylethyl)amino]methyl]-3-pyrrolidinyl ester [ACD/Index 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: 668.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 358.1±31.5 °C
Index of Refraction: 1.571
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.28
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 37.36
ACD/KOC (pH 7.4): 233.63
Polar Surface Area: 90 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 446.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement