ChemSpider 2D Image | (16R,19S)-16-Isobutyl-19-methyl-10-{[(2R)-5-oxo-2-pyrrolidinyl]carbonyl}-2-phenyl-8,9,10,11,12,13,15,16,18,19-decahydro-5H-[1,2,4]triazolo[5,1-f][1,4,7,10,13]pentaazacycloheptadecine-6,14,17(7H)-trion e | C29H40N8O5

(16R,19S)-16-Isobutyl-19-methyl-10-{[(2R)-5-oxo-2-pyrrolidinyl]carbonyl}-2-phenyl-8,9,10,11,12,13,15,16,18,19-decahydro-5H-[1,2,4]triazolo[5,1-f][1,4,7,10,13]pentaazacycloheptadecine-6,14,17(7H)-trion e

  • Molecular FormulaC29H40N8O5
  • Average mass580.679 Da
  • Monoisotopic mass580.312195 Da
  • ChemSpider ID71276644

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(16R,19S)-16-Isobutyl-19-methyl-10-{[(2R)-5-oxo-2-pyrrolidinyl]carbonyl}-2-phenyl-8,9,10,11,12,13,15,16,18,19-decahydro-5H-[1,2,4]triazolo[5,1-f][1,4,7,10,13]pentaazacycloheptadecin-6,14,17(7H)-trion [German] [ACD/IUPAC Name]
(16R,19S)-16-Isobutyl-19-methyl-10-{[(2R)-5-oxo-2-pyrrolidinyl]carbonyl}-2-phenyl-8,9,10,11,12,13,15,16,18,19-decahydro-5H-[1,2,4]triazolo[5,1-f][1,4,7,10,13]pentaazacycloheptadecine-6,14,17(7H)-trion e [ACD/IUPAC Name]
(16R,19S)-16-Isobutyl-19-méthyl-10-{[(2R)-5-oxo-2-pyrrolidinyl]carbonyl}-2-phényl-8,9,10,11,12,13,15,16,18,19-décahydro-5H-[1,2,4]triazolo[5,1-f][1,4,7,10,13]pentaazacycloheptadécine-6,14,17(7H)-trion e [French] [ACD/IUPAC Name]
5H-[1,2,4]Triazolo[5,1-f][1,4,7,10,13]pentaazacycloheptadecine-6,14,17(7H)-trione, 8,9,10,11,12,13,15,16,18,19-decahydro-19-methyl-16-(2-methylpropyl)-10-[[(2R)-5-oxo-2-pyrrolidinyl]carbonyl]-2-phenyl -, (16R,19S)- [ACD/Index 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: 1.669
Molar Refractivity: 155.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -2.81
ACD/LogD (pH 5.5): -1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.18
ACD/LogD (pH 7.4): -1.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.18
Polar Surface Area: 167 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 418.1±7.0 cm3

Click to predict properties on the Chemicalize site


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