Found 38 results

Search term: MF = 'C_{25}H_{32}Cl_{2}N_{6}O_{2}'
ChemSpider 2D Image | N-({(3R,5R)-3-(Carbamimidamidomethyl)-2-oxo-1-[(2S)-2-phenylbutyl]-1,4-diazepan-5-yl}methyl)-2,4-dichlorobenzamide | C25H32Cl2N6O2

N-({(3R,5R)-3-(Carbamimidamidomethyl)-2-oxo-1-[(2S)-2-phenylbutyl]-1,4-diazepan-5-yl}methyl)-2,4-dichlorobenzamide

  • Molecular FormulaC25H32Cl2N6O2
  • Average mass519.467 Da
  • Monoisotopic mass518.196350 Da
  • ChemSpider ID76779230

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Benzamide, N-[[(3R,5R)-3-[[(aminoiminomethyl)amino]methyl]hexahydro-2-oxo-1-[(2S)-2-phenylbutyl]-1H-1,4-diazepin-5-yl]methyl]-2,4-dichloro- [ACD/Index Name]
N-({(3R,5R)-3-(Carbamimidamidomethyl)-2-oxo-1-[(2S)-2-phenylbutyl]-1,4-diazepan-5-yl}methyl)-2,4-dichlorbenzamid [German] [ACD/IUPAC Name]
N-({(3R,5R)-3-(Carbamimidamidomethyl)-2-oxo-1-[(2S)-2-phenylbutyl]-1,4-diazepan-5-yl}methyl)-2,4-dichlorobenzamide [ACD/IUPAC Name]
N-({(3R,5R)-3-(Carbamimidamidométhyl)-2-oxo-1-[(2S)-2-phénylbutyl]-1,4-diazépan-5-yl}méthyl)-2,4-dichlorobenzamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.646
Molar Refractivity: 137.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.82
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.06
Polar Surface Area: 123 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 379.8±7.0 cm3

Click to predict properties on the Chemicalize site


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