ChemSpider 2D Image | 3-[4-(2-Chlorophenyl)-9-cyclohexyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)-1-propanone | C27H30ClN5O2S

3-[4-(2-Chlorophenyl)-9-cyclohexyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)-1-propanone

  • Molecular FormulaC27H30ClN5O2S
  • Average mass524.077 Da
  • Monoisotopic mass523.180847 Da
  • ChemSpider ID169439

More details:

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

1-Propanone, 3-[4-(2-chlorophenyl)-9-cyclohexyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)- [ACD/Index Name]
3-(4-(2-chlorophenyl)-9-cyclohexyl-6h-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-yl)-1-(4-morpholinyl)-1-propanone
3-[4-(2-Chlorophenyl)-9-cyclohexyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)-1-propanone [ACD/IUPAC Name]
3-[4-(2-Chlorophényl)-9-cyclohexyl-6H-thiéno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazépin-2-yl]-1-(4-morpholinyl)-1-propanone [French] [ACD/IUPAC Name]
3-[4-(2-Chlorphenyl)-9-cyclohexyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-1-(4-morpholinyl)-1-propanon [German] [ACD/IUPAC Name]
124672-93-1 [RN]
14667-54-0 [RN]
3-[7-(2-chlorophenyl)-13-cyclohexyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]-1-morpholin-4-ylpropan-1-one
MORPHOLINE,4-[3-[4-(2-CHLOROPHENYL)-9-CYCLOHEXYL- 6H-THIENO[3,2-F][1,2,4]TRIAZOLO[4,3-A][1,4]- DIAZEPIN-2-YL]-1-OXOPROPYL]-

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

Web 2118 [DBID]
Web-2118 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 763.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 415.6±35.7 °C
Index of Refraction: 1.731
Molar Refractivity: 143.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 242.65
ACD/KOC (pH 5.5): 1772.66
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 242.93
ACD/KOC (pH 7.4): 1774.70
Polar Surface Area: 101 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 60.0±7.0 dyne/cm
Molar Volume: 358.9±7.0 cm3

Click to predict properties on the Chemicalize site


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