ChemSpider 2D Image | N-[(2S)-5-[(Diaminomethylene)amino]-1-{[(1S)-1-(1-naphthyl)ethyl]amino}-1-oxo-2-pentanyl]-4-{[(2-pyridinylmethyl)amino]methyl}benzamide | C32H37N7O2

N-[(2S)-5-[(Diaminomethylene)amino]-1-{[(1S)-1-(1-naphthyl)ethyl]amino}-1-oxo-2-pentanyl]-4-{[(2-pyridinylmethyl)amino]methyl}benzamide

  • Molecular FormulaC32H37N7O2
  • Average mass551.682 Da
  • Monoisotopic mass551.300903 Da
  • ChemSpider ID409605

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzamide, N-[(1S)-4-[(diaminomethylene)amino]-1-[[[(1S)-1-(1-naphthalenyl)ethyl]amino]carbonyl]butyl]-4-[[(2-pyridinylmethyl)amino]methyl]- [ACD/Index Name]
N-[(2S)-5-[(Diaminomethylen)amino]-1-{[(1S)-1-(1-naphthyl)ethyl]amino}-1-oxo-2-pentanyl]-4-{[(2-pyridinylmethyl)amino]methyl}benzamid [German] [ACD/IUPAC Name]
N-[(2S)-5-[(Diaminomethylene)amino]-1-{[(1S)-1-(1-naphthyl)ethyl]amino}-1-oxo-2-pentanyl]-4-{[(2-pyridinylmethyl)amino]methyl}benzamide [ACD/IUPAC Name]
N-[(2S)-5-[(Diaminométhylène)amino]-1-{[(1S)-1-(1-naphtyl)éthyl]amino}-1-oxo-2-pentanyl]-4-{[(2-pyridinylméthyl)amino]méthyl}benzamide [French] [ACD/IUPAC Name]
568526-77-2 [RN]
Benzamide, N-[(1S)-4-[(aminoiminomethyl)amino]-1-[[[(1S)-1-(1-naphthalenyl)ethyl]amino]carbonyl]butyl]-4-[[(2-pyridinylmethyl)amino]methyl]-

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

AIDS045432 [DBID]
AIDS-045432 [DBID]
KRH-1636 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 160.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.96
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.61
Polar Surface Area: 148 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 443.6±7.0 cm3

Click to predict properties on the Chemicalize site


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