ChemSpider 2D Image | N-[(4-Methylphenyl)sulfonyl]-3-[({5-oxo-6-[2-(4-piperidinyl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-c][1,3]diazepin-2-yl}carbonyl)amino]-L-alanine | C25H34N6O6S

N-[(4-Methylphenyl)sulfonyl]-3-[({5-oxo-6-[2-(4-piperidinyl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-c][1,3]diazepin-2-yl}carbonyl)amino]-L-alanine

  • Molecular FormulaC25H34N6O6S
  • Average mass546.639 Da
  • Monoisotopic mass546.226074 Da
  • ChemSpider ID8112948

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Alanine, N-[(4-methylphenyl)sulfonyl]-3-[[[6,7,8,9-tetrahydro-5-oxo-6-[2-(4-piperidinyl)ethyl]-5H-imidazo[1,2-c][1,3]diazepin-2-yl]carbonyl]amino]- [ACD/Index Name]
N-[(4-Methylphenyl)sulfonyl]-3-[({5-oxo-6-[2-(4-piperidinyl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-c][1,3]diazepin-2-yl}carbonyl)amino]-L-alanin [German] [ACD/IUPAC Name]
N-[(4-Methylphenyl)sulfonyl]-3-[({5-oxo-6-[2-(4-piperidinyl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-c][1,3]diazepin-2-yl}carbonyl)amino]-L-alanine [ACD/IUPAC Name]
N-[(4-Méthylphényl)sulfonyl]-3-[({5-oxo-6-[2-(4-pipéridinyl)éthyl]-6,7,8,9-tétrahydro-5H-imidazo[1,2-c][1,3]diazépin-2-yl}carbonyl)amino]-L-alanine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.687
Molar Refractivity: 140.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 0.38
ACD/LogD (pH 5.5): -2.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 63.9±7.0 dyne/cm
Molar Volume: 369.3±7.0 cm3

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