ChemSpider 2D Image | compound 7 [PMID: 22464456] | C19H19F2N3OS

compound 7 [PMID: 22464456]

  • Molecular FormulaC19H19F2N3OS
  • Average mass375.435 Da
  • Monoisotopic mass375.121704 Da
  • ChemSpider ID28508592

More details:

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

1H-Indole-6-methanol, 2-[5-(difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-α,α-diethyl- [ACD/Index Name]
3-{2-[5-(Difluormethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}-3-pentanol [German] [ACD/IUPAC Name]
3-{2-[5-(Difluoromethyl)-1H-thieno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}-3-pentanol [ACD/IUPAC Name]
3-{2-[5-(Difluorométhyl)-1H-thiéno[3,2-c]pyrazol-3-yl]-1H-indol-6-yl}-3-pentanol [French] [ACD/IUPAC Name]
compound 7 [PMID: 22464456]
3-[(2Z)-2-[5-(difluoromethyl)-1,2-dihydrothieno[3,2-c]pyrazol-3-ylidene]indol-6-yl]pentan-3-ol
3-{2-[5-(Difluoromethyl)-2h-Thieno[3,2-C]pyrazol-3-Yl]-1h-Indol-6-Yl}pentan-3-Ol
compound 7 [PMID 22464456]
thienopyrazolylindole inhibitor 477

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

477 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 624.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 331.7±30.1 °C
Index of Refraction: 1.674
Molar Refractivity: 101.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.31
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4216.59
ACD/KOC (pH 5.5): 13683.53
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4221.39
ACD/KOC (pH 7.4): 13699.12
Polar Surface Area: 93 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 271.0±3.0 cm3

Click to predict properties on the Chemicalize site


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