ChemSpider 2D Image | INHIBITOR Q8467 OF DUPONT MERCK | C34H36N4O4S

INHIBITOR Q8467 OF DUPONT MERCK

  • Molecular FormulaC34H36N4O4S
  • Average mass596.739 Da
  • Monoisotopic mass596.245728 Da
  • ChemSpider ID394989

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3-{[(4R,5S,6S,7R)-4,7-Dibenzyl-3-(cyclopropylmethyl)-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl}-N-(1,3-thiazol-2-yl)benzamid [German] [ACD/IUPAC Name]
3-{[(4R,5S,6S,7R)-4,7-Dibenzyl-3-(cyclopropylmethyl)-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl}-N-(1,3-thiazol-2-yl)benzamide [ACD/IUPAC Name]
3-{[(4R,5S,6S,7R)-4,7-Dibenzyl-3-(cyclopropylméthyl)-5,6-dihydroxy-2-oxo-1,3-diazépan-1-yl]méthyl}-N-(1,3-thiazol-2-yl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[[(4R,5S,6S,7R)-3-(cyclopropylmethyl)hexahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepin-1-yl]methyl]-N-2-thiazolyl- [ACD/Index Name]
INHIBITOR Q8467 OF DUPONT MERCK
[4R--(1α,5α,7β)]-3-[(CYCLOPROPHYLMETHYL)HEXAHYDRO-5,6-DIHYDROXY-2-OXO-4,7-BIS(PHENYLMETHYL)-1H-1,3-DIAZEPIN]METHYL-2-THIAZOLYLBENZAMIDE
[4R-(4α,5α,5β,7β)]-3-[[3-(Cyclopropylmethyl)hexahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepin-1-yl]methyl]-N-2-thiazolylbenzamide
Q8467

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

846 [DBID]
AIDS043311 [DBID]
AIDS-043311 [DBID]

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: 1.692
Molar Refractivity: 168.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2765.25
ACD/KOC (pH 5.5): 10066.47
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1167.57
ACD/KOC (pH 7.4): 4250.35
Polar Surface Area: 134 Å2
Polarizability: 66.8±0.5 10-24cm3
Surface Tension: 71.7±3.0 dyne/cm
Molar Volume: 440.1±3.0 cm3

Click to predict properties on the Chemicalize site


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