ChemSpider 2D Image | (3S,4R)-N-(1-Benzyl-3-pyrrolidinyl)-1-(cyclopropylmethyl)-N'-[2-(2,4-dichlorophenyl)ethyl]-3,4-pyrrolidinedicarboxamide | C29H36Cl2N4O2

(3S,4R)-N-(1-Benzyl-3-pyrrolidinyl)-1-(cyclopropylmethyl)-N'-[2-(2,4-dichlorophenyl)ethyl]-3,4-pyrrolidinedicarboxamide

  • Molecular FormulaC29H36Cl2N4O2
  • Average mass543.528 Da
  • Monoisotopic mass542.221558 Da
  • ChemSpider ID28522904

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3S,4R)-N-(1-Benzyl-3-pyrrolidinyl)-1-(cyclopropylmethyl)-N'-[2-(2,4-dichlorophenyl)ethyl]-3,4-pyrrolidinedicarboxamide [ACD/IUPAC Name]
(3S,4R)-N-(1-Benzyl-3-pyrrolidinyl)-1-(cyclopropylméthyl)-N'-[2-(2,4-dichlorophényl)éthyl]-3,4-pyrrolidinedicarboxamide [French] [ACD/IUPAC Name]
(3S,4R)-N-(1-Benzyl-3-pyrrolidinyl)-1-(cyclopropylmethyl)-N'-[2-(2,4-dichlorphenyl)ethyl]-3,4-pyrrolidindicarboxamid [German] [ACD/IUPAC Name]
3,4-Pyrrolidinedicarboxamide, 1-(cyclopropylmethyl)-N3-[2-(2,4-dichlorophenyl)ethyl]-N4-[1-(phenylmethyl)-3-pyrrolidinyl]-, (3R,4S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 748.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.1±3.0 kJ/mol
Flash Point: 406.7±32.9 °C
Index of Refraction: 1.636
Molar Refractivity: 148.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 19.19
ACD/KOC (pH 7.4): 98.22
Polar Surface Area: 65 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 59.8±5.0 dyne/cm
Molar Volume: 415.6±5.0 cm3

Click to predict properties on the Chemicalize site


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