ChemSpider 2D Image | (4s)-1,4-Dibenzyl-N-[(1s,2r)-1-Benzyl-3-{[3-(Dimethylamino)benzyl]amino}-2-Hydroxypropyl]-2-Oxoimidazolidine-4-Carboxamide | C37H43N5O3

(4s)-1,4-Dibenzyl-N-[(1s,2r)-1-Benzyl-3-{[3-(Dimethylamino)benzyl]amino}-2-Hydroxypropyl]-2-Oxoimidazolidine-4-Carboxamide

  • Molecular FormulaC37H43N5O3
  • Average mass605.769 Da
  • Monoisotopic mass605.336609 Da
  • ChemSpider ID23316670

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4s)-1,4-Dibenzyl-N-[(1s,2r)-1-Benzyl-3-{[3-(Dimethylamino)benzyl]amino}-2-Hydroxypropyl]-2-Oxoimidazolidine-4-Carboxamide
(4S)-1,4-Dibenzyl-N-[(2S,3R)-4-{[3-(dimethylamino)benzyl]amino}-3-hydroxy-1-phenyl-2-butanyl]-2-oxo-4-imidazolidincarboxamid [German] [ACD/IUPAC Name]
(4S)-1,4-Dibenzyl-N-[(2S,3R)-4-{[3-(dimethylamino)benzyl]amino}-3-hydroxy-1-phenyl-2-butanyl]-2-oxo-4-imidazolidinecarboxamide [ACD/IUPAC Name]
(4S)-1,4-Dibenzyl-N-[(2S,3R)-4-{[3-(diméthylamino)benzyl]amino}-3-hydroxy-1-phényl-2-butanyl]-2-oxo-4-imidazolidinecarboxamide [French] [ACD/IUPAC Name]
(4S)-1,4-dibenzyl-N-[(2S,3R)-4-{[3-(dimethylamino)benzyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-2-oxoimidazolidine-4-carboxamide
4-Imidazolidinecarboxamide, N-[(1S,2R)-3-[[[3-(dimethylamino)phenyl]methyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-2-oxo-1,4-bis(phenylmethyl)-, (4S)- [ACD/Index Name]
(S)-N-((2S,3R)-4-(3-(dimethylamino)benzylamino)-3-hydroxy-1-phenylbutan-2-yl)-1,4-dibenzyl-2-oxoimidazolidine-4-carboxamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL406317/

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

009 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 871.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.7±3.0 kJ/mol
Flash Point: 480.7±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 178.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 7.90
ACD/KOC (pH 5.5): 24.04
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 327.41
ACD/KOC (pH 7.4): 996.63
Polar Surface Area: 97 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 499.9±3.0 cm3

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