ChemSpider 2D Image | (4s)-N-[(1s,2r)-1-Benzyl-3-{[3-(Dimethylamino)benzyl]amino}-2-Hydroxypropyl]-1-(3-Methoxybenzyl)-2-Oxoimidazolidine-4-Carboxamide | C31H39N5O4

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

  • Molecular FormulaC31H39N5O4
  • Average mass545.672 Da
  • Monoisotopic mass545.300232 Da
  • ChemSpider ID23316631

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4s)-N-[(1s,2r)-1-Benzyl-3-{[3-(Dimethylamino)benzyl]amino}-2-Hydroxypropyl]-1-(3-Methoxybenzyl)-2-Oxoimidazolidine-4-Carboxamide
(4S)-N-[(2S,3R)-4-{[3-(Dimethylamino)benzyl]amino}-3-hydroxy-1-phenyl-2-butanyl]-1-(3-methoxybenzyl)-2-oxo-4-imidazolidincarboxamid [German] [ACD/IUPAC Name]
(4S)-N-[(2S,3R)-4-{[3-(Dimethylamino)benzyl]amino}-3-hydroxy-1-phenyl-2-butanyl]-1-(3-methoxybenzyl)-2-oxo-4-imidazolidinecarboxamide [ACD/IUPAC Name]
(4S)-N-[(2S,3R)-4-{[3-(Diméthylamino)benzyl]amino}-3-hydroxy-1-phényl-2-butanyl]-1-(3-méthoxybenzyl)-2-oxo-4-imidazolidinecarboxamide [French] [ACD/IUPAC Name]
(4S)-N-[(2S,3R)-4-{[3-(dimethylamino)benzyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide
4-Imidazolidinecarboxamide, N-[(1S,2R)-3-[[[3-(dimethylamino)phenyl]methyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-1-[(3-methoxyphenyl)methyl]-2-oxo-, (4S)- [ACD/Index Name]
(S)-N-((2S,3R)-4-(3-(dimethylamino)benzylamino)-3-hydroxy-1-phenylbutan-2-yl)-1-(3-methoxybenzyl)-2-oxoimidazolidine-4-carboxamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL261655/

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

012 [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: 838.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.6±3.0 kJ/mol
Flash Point: 460.6±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 156.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.74
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 8.36
ACD/KOC (pH 7.4): 72.16
Polar Surface Area: 106 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 55.1±3.0 dyne/cm
Molar Volume: 447.2±3.0 cm3

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