ChemSpider 2D Image | (Phosphonooxy)methyl [(S)-[1-(bicyclo[1.1.1]pent-1-yl)-1H-1,2,3-triazol-4-yl](2-methyl-1-oxo-1,2-dihydro-5-isoquinolinyl)methyl]{8-chloro-3-cyano-4-[(2,2-dimethylpropyl)amino]-6-quinolinyl}carbamate | C35H36ClN8O7P

(Phosphonooxy)methyl [(S)-[1-(bicyclo[1.1.1]pent-1-yl)-1H-1,2,3-triazol-4-yl](2-methyl-1-oxo-1,2-dihydro-5-isoquinolinyl)methyl]{8-chloro-3-cyano-4-[(2,2-dimethylpropyl)amino]-6-quinolinyl}carbamate

  • Molecular FormulaC35H36ClN8O7P
  • Average mass747.136 Da
  • Monoisotopic mass746.213318 Da
  • ChemSpider ID128922115

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(Phosphonooxy)methyl [(S)-[1-(bicyclo[1.1.1]pent-1-yl)-1H-1,2,3-triazol-4-yl](2-methyl-1-oxo-1,2-dihydro-5-isoquinolinyl)methyl]{8-chloro-3-cyano-4-[(2,2-dimethylpropyl)amino]-6-quinolinyl}carbamate [ACD/IUPAC Name]
(Phosphonooxy)methyl-[(S)-[1-(bicyclo[1.1.1]pent-1-yl)-1H-1,2,3-triazol-4-yl](2-methyl-1-oxo-1,2-dihydro-5-isochinolinyl)methyl]{8-chlor-3-cyan-4-[(2,2-dimethylpropyl)amino]-6-chinolinyl}carbamat [German] [ACD/IUPAC Name]
[(S)-[1-(Bicyclo[1.1.1]pent-1-yl)-1H-1,2,3-triazol-4-yl](2-méthyl-1-oxo-1,2-dihydro-5-isoquinoléinyl)méthyl]{8-chloro-3-cyano-4-[(2,2-diméthylpropyl)amino]-6-quinoléinyl}carbamate de (phosphonooxy)mét hyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(S)-(1-bicyclo[1.1.1]pent-1-yl-1H-1,2,3-triazol-4-yl)(1,2-dihydro-2-methyl-1-oxo-5-isoquinolinyl)methyl]-N-[8-chloro-3-cyano-4-[(2,2-dimethylpropyl)amino]-6-quinolinyl]-, (phosphonoo xy)methyl ester [ACD/Index Name]
2567459-64-5 [RN]
tilpisertib fosmecarbil

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

Density: 1.6±0.1 g/cm3
Boiling Point: 993.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.8±3.0 kJ/mol
Flash Point: 554.6±37.1 °C
Index of Refraction: 1.728
Molar Refractivity: 190.8±0.5 cm3
#H bond acceptors: 15
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.61
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 206 Å2
Polarizability: 75.7±0.5 10-24cm3
Surface Tension: 68.5±7.0 dyne/cm
Molar Volume: 479.1±7.0 cm3

Click to predict properties on the Chemicalize site


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