ChemSpider 2D Image | 10-Methyl-3-(6-methyl-3-pyridinyl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one | C21H18N4OS

10-Methyl-3-(6-methyl-3-pyridinyl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one

  • Molecular FormulaC21H18N4OS
  • Average mass374.459 Da
  • Monoisotopic mass374.120117 Da
  • ChemSpider ID58143516

More details:

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

10-Methyl-3-(6-methyl-3-pyridinyl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]chinolin-8-on [German] [ACD/IUPAC Name]
10-Méthyl-3-(6-méthyl-3-pyridinyl)-9,10,11,12-tétrahydro-8H-[1,4]diazépino[5',6':4,5]thiéno[3,2-f]quinoléin-8-one [French] [ACD/IUPAC Name]
10-Methyl-3-(6-methyl-3-pyridinyl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one [ACD/IUPAC Name]
8H-[1,4]Diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one, 9,10,11,12-tetrahydro-10-methyl-3-(6-methyl-3-pyridinyl)- [ACD/Index Name]
1276121-88-0 [RN]
MFCD28404656
MK2 Inhibitor
PF 3644022
PF-3644022
Untitled Document

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

Density: 1.3±0.1 g/cm3
Boiling Point: 703.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 379.2±32.9 °C
Index of Refraction: 1.686
Molar Refractivity: 109.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 192.68
ACD/KOC (pH 5.5): 1495.92
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 196.10
ACD/KOC (pH 7.4): 1522.42
Polar Surface Area: 95 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 288.3±3.0 cm3

Click to predict properties on the Chemicalize site


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