ChemSpider 2D Image | N-[(2S)-1-({(2S)-1-(1,3-Benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}amino)-4-methyl-1-oxo-2-pentanyl]-4-isobutoxy-1H-indole-2-carboxamide | C33H39N5O5S

N-[(2S)-1-({(2S)-1-(1,3-Benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}amino)-4-methyl-1-oxo-2-pentanyl]-4-isobutoxy-1H-indole-2-carboxamide

  • Molecular FormulaC33H39N5O5S
  • Average mass617.758 Da
  • Monoisotopic mass617.267212 Da
  • ChemSpider ID30837130

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Indole-2-carboxamide, N-[(1S)-1-[[[(1S)-2-(2-benzothiazolyl)-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]ethyl]amino]carbonyl]-3-methylbutyl]-4-(2-methylpropoxy)- [ACD/Index Name]
N-[(2S)-1-({(2S)-1-(1,3-Benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}amino)-4-methyl-1-oxo-2-pentanyl]-4-isobutoxy-1H-indol-2-carboxamid [German] [ACD/IUPAC Name]
N-[(2S)-1-({(2S)-1-(1,3-Benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}amino)-4-methyl-1-oxo-2-pentanyl]-4-isobutoxy-1H-indole-2-carboxamide [ACD/IUPAC Name]
N-[(2S)-1-({(2S)-1-(1,3-Benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxo-3-pyrrolidinyl]-2-propanyl}amino)-4-méthyl-1-oxo-2-pentanyl]-4-isobutoxy-1H-indole-2-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.624
Molar Refractivity: 172.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 601.70
ACD/KOC (pH 5.5): 3394.74
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 601.67
ACD/KOC (pH 7.4): 3394.52
Polar Surface Area: 171 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 55.6±3.0 dyne/cm
Molar Volume: 488.7±3.0 cm3

Click to predict properties on the Chemicalize site


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