ChemSpider 2D Image | (3S,6S)-13-(Cycloheptylcarbonyl)-22-methoxy-5-[(1-methylhexahydro-1H-imidazo[1,2-b]pyrazol-7-yl)carbonyl]-2-oxa-5,8,13,17-tetraazatricyclo[17.3.1.1~3,6~]tetracosa-1(23),19,21-triene-7,18-dione | C35H53N7O6

(3S,6S)-13-(Cycloheptylcarbonyl)-22-methoxy-5-[(1-methylhexahydro-1H-imidazo[1,2-b]pyrazol-7-yl)carbonyl]-2-oxa-5,8,13,17-tetraazatricyclo[17.3.1.13,6]tetracosa-1(23),19,21-triene-7,18-dione

  • Molecular FormulaC35H53N7O6
  • Average mass667.839 Da
  • Monoisotopic mass667.405762 Da
  • ChemSpider ID114561713

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(3S,6S)-13-(Cycloheptylcarbonyl)-22-methoxy-5-[(1-methylhexahydro-1H-imidazo[1,2-b]pyrazol-7-yl)carbonyl]-2-oxa-5,8,13,17-tetraazatricyclo[17.3.1.13,6]tetracosa-1(23),19,21-trien-7,18-dion [German] [ACD/IUPAC Name]
(3S,6S)-13-(Cycloheptylcarbonyl)-22-methoxy-5-[(1-methylhexahydro-1H-imidazo[1,2-b]pyrazol-7-yl)carbonyl]-2-oxa-5,8,13,17-tetraazatricyclo[17.3.1.13,6]tetracosa-1(23),19,21-triene-7,18-dione [ACD/IUPAC Name]
(3S,6S)-13-(Cycloheptylcarbonyl)-22-méthoxy-5-[(1-méthylhexahydro-1H-imidazo[1,2-b]pyrazol-7-yl)carbonyl]-2-oxa-5,8,13,17-tétraazatricyclo[17.3.1.13,6]tétracosa-1(23),19,21-triène-7,18-dione [French] [ACD/IUPAC Name]
2-Oxa-5,8,13,17-tetraazatricyclo[17.3.1.13,6]tetracosa-1(23),19,21-triene-7,18-dione, 13-(cycloheptylcarbonyl)-5-[(hexahydro-1-methyl-1H-imidazo[1,2-b]pyrazol-7-yl)carbonyl]-22-methoxy-, (3S,6S)- [ACD/Index 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: 1.620
Molar Refractivity: 181.1±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: -0.10
ACD/LogD (pH 5.5): -2.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.10
Polar Surface Area: 136 Å2
Polarizability: 71.8±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 515.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement