ChemSpider 2D Image | (9R)-9-Benzyl-19-methoxy-4-methyl-13-{[5-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazol-3-yl]carbonyl}-3,17-dioxa-7,10,13,23-tetraazatricyclo[16.3.1.1~2,5~]tricosa-1(22),2(23),4,18,20-pentaene-8,11-dione | C35H37N7O6

(9R)-9-Benzyl-19-methoxy-4-methyl-13-{[5-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazol-3-yl]carbonyl}-3,17-dioxa-7,10,13,23-tetraazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaene-8,11-dione

  • Molecular FormulaC35H37N7O6
  • Average mass651.712 Da
  • Monoisotopic mass651.280518 Da
  • ChemSpider ID76830815

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(9R)-9-Benzyl-19-methoxy-4-methyl-13-{[5-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazol-3-yl]carbonyl}-3,17-dioxa-7,10,13,23-tetraazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaen-8,11-dion [German] [ACD/IUPAC Name]
(9R)-9-Benzyl-19-methoxy-4-methyl-13-{[5-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazol-3-yl]carbonyl}-3,17-dioxa-7,10,13,23-tetraazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaene-8,11-dione [ACD/IUPAC Name]
(9R)-9-Benzyl-19-méthoxy-4-méthyl-13-{[5-(1-méthyl-1H-pyrrol-2-yl)-1H-pyrazol-3-yl]carbonyl}-3,17-dioxa-7,10,13,23-tétraazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaène-8,11-dione [French] [ACD/IUPAC Name]
3,17-Dioxa-7,10,13,23-tetraazatricyclo[16.3.1.12,5]tricosa-1(22),2(23),4,18,20-pentaene-8,11-dione, 19-methoxy-4-methyl-13-[[5-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazol-3-yl]carbonyl]-9-(phenylmethyl)-, (9R)- [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: 1.668
Molar Refractivity: 177.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.08
ACD/KOC (pH 5.5): 407.03
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.08
ACD/KOC (pH 7.4): 407.05
Polar Surface Area: 157 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 477.4±7.0 cm3

Click to predict properties on the Chemicalize site


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