ChemSpider 2D Image | (3aR,7aR)-2-[4-Cyano-3-(trifluoromethyl)phenyl]-3a-[(cyclopropylmethoxy)methyl]-N,N-dimethyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide | C22H29F3N4O3S

(3aR,7aR)-2-[4-Cyano-3-(trifluoromethyl)phenyl]-3a-[(cyclopropylmethoxy)methyl]-N,N-dimethyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide

  • Molecular FormulaC22H29F3N4O3S
  • Average mass486.551 Da
  • Monoisotopic mass486.191254 Da
  • ChemSpider ID71293980

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,7aR)-2-[4-Cyan-3-(trifluormethyl)phenyl]-3a-[(cyclopropylmethoxy)methyl]-N,N-dimethyloctahydro-5H-pyrrolo[3,4-c]pyridin-5-sulfonamid [German] [ACD/IUPAC Name]
(3aR,7aR)-2-[4-Cyano-3-(trifluoromethyl)phenyl]-3a-[(cyclopropylmethoxy)methyl]-N,N-dimethyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide [ACD/IUPAC Name]
(3aR,7aR)-2-[4-Cyano-3-(trifluorométhyl)phényl]-3a-[(cyclopropylméthoxy)méthyl]-N,N-diméthyloctahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide [French] [ACD/IUPAC Name]
5H-Pyrrolo[3,4-c]pyridine-5-sulfonamide, 2-[4-cyano-3-(trifluoromethyl)phenyl]-3a-[(cyclopropylmethoxy)methyl]octahydro-N,N-dimethyl-, (3aR,7aR)- [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: 608.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 321.9±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 117.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 102.99
ACD/KOC (pH 5.5): 960.18
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 102.99
ACD/KOC (pH 7.4): 960.23
Polar Surface Area: 85 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 349.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement