ChemSpider 2D Image | (3S,4S)-4-({Isopropyl[4-methoxy-3-(3-methoxypropoxy)benzoyl]amino}methyl)-3-pyrrolidinyl (2-furylmethyl)carbamate | C26H37N3O7

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

  • Molecular FormulaC26H37N3O7
  • Average mass503.588 Da
  • Monoisotopic mass503.263153 Da
  • ChemSpider ID58991783

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2-Furylméthyl)carbamate de (3S,4S)-4-({isopropyl[4-méthoxy-3-(3-méthoxypropoxy)benzoyl]amino}méthyl)-3-pyrrolidinyle [French] [ACD/IUPAC Name]
(3S,4S)-4-({Isopropyl[4-methoxy-3-(3-methoxypropoxy)benzoyl]amino}methyl)-3-pyrrolidinyl (2-furylmethyl)carbamate [ACD/IUPAC Name]
(3S,4S)-4-({Isopropyl[4-methoxy-3-(3-methoxypropoxy)benzoyl]amino}methyl)-3-pyrrolidinyl-(2-furylmethyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-(2-furanylmethyl)-, (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: 670.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.5±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 134.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.49
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.28
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 5.16
ACD/KOC (pH 7.4): 58.47
Polar Surface Area: 112 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 51.4±5.0 dyne/cm
Molar Volume: 414.2±5.0 cm3

Click to predict properties on the Chemicalize site


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