ChemSpider 2D Image | 7-(1,4-Dimethyl-1H-1,2,3-triazol-5-yl)-1-methyl-9-[(S)-phenyl(tetrahydro-2H-pyran-4-yl)methyl]-1,9-dihydropyrido[2',3':4,5]pyrrolo[3,2-f]indazole | C29H29N7O

7-(1,4-Dimethyl-1H-1,2,3-triazol-5-yl)-1-methyl-9-[(S)-phenyl(tetrahydro-2H-pyran-4-yl)methyl]-1,9-dihydropyrido[2',3':4,5]pyrrolo[3,2-f]indazole

  • Molecular FormulaC29H29N7O
  • Average mass491.587 Da
  • Monoisotopic mass491.243347 Da
  • ChemSpider ID114929461

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

7-(1,4-Dimethyl-1H-1,2,3-triazol-5-yl)-1-methyl-9-[(S)-phenyl(tetrahydro-2H-pyran-4-yl)methyl]-1,9-dihydropyrido[2',3':4,5]pyrrolo[3,2-f]indazol [German] [ACD/IUPAC Name]
7-(1,4-Dimethyl-1H-1,2,3-triazol-5-yl)-1-methyl-9-[(S)-phenyl(tetrahydro-2H-pyran-4-yl)methyl]-1,9-dihydropyrido[2',3':4,5]pyrrolo[3,2-f]indazole [ACD/IUPAC Name]
7-(1,4-Diméthyl-1H-1,2,3-triazol-5-yl)-1-méthyl-9-[(S)-phényl(tétrahydro-2H-pyran-4-yl)méthyl]-1,9-dihydropyrido[2',3':4,5]pyrrolo[3,2-f]indazole [French] [ACD/IUPAC Name]
Pyrido[2',3':4,5]pyrrolo[3,2-f]indazole, 7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-1,9-dihydro-1-methyl-9-[(S)-phenyl(tetrahydro-2H-pyran-4-yl)methyl]- [ACD/Index Name]
2115742-03-3 [RN]
5-(3,5-dimethyltriazol-4-yl)-12-methyl-8-[(S)-oxan-4-yl(phenyl)methyl]-3,8,12,13-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,10,13,15-heptaene
NHWD-870

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

Density: 1.4±0.1 g/cm3
Boiling Point: 687.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 369.5±34.3 °C
Index of Refraction: 1.743
Molar Refractivity: 143.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 614.48
ACD/KOC (pH 5.5): 3226.33
ACD/LogD (pH 7.4): 4.10
ACD/BCF (pH 7.4): 774.05
ACD/KOC (pH 7.4): 4064.18
Polar Surface Area: 76 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 354.3±7.0 cm3

Click to predict properties on the Chemicalize site


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