ChemSpider 2D Image | rocepafant | C26H23ClN6OS2

rocepafant

  • Molecular FormulaC26H23ClN6OS2
  • Average mass535.083 Da
  • Monoisotopic mass534.106323 Da
  • ChemSpider ID2298527

More details:

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

132418-36-1 [RN]
4H-Pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-9(8H)-carbothioamide, 6-(2-chlorophenyl)-7,10-dihydro-N-(4-methoxyphenyl)-1-methyl- [ACD/Index Name]
4KGX1STY2N
6-(2-Chlorophenyl)-N-(4-methoxyphenyl)-1-methyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-9(8H)-carbothioamide [ACD/IUPAC Name]
6-(2-Chlorophényl)-N-(4-méthoxyphényl)-1-méthyl-7,10-dihydro-4H-pyrido[4',3':4,5]thiéno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazépine-9(8H)-carbothioamide [French] [ACD/IUPAC Name]
6-(2-Chlorphenyl)-N-(4-methoxyphenyl)-1-methyl-7,10-dihydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9(8H)-carbothioamid [German] [ACD/IUPAC Name]
7,10-Dihydro-6-(2-chlorophenyl)-N-(4-methoxyphenyl)-1-methyl-4H-Pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-9(8H)-carbothioamide
rocepafant [INN]
rocepafant [Spanish] [INN]
rocépafant [French] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7231 [DBID]
BN 50730 [DBID]
BN-50730 [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: 754.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 410.0±35.7 °C
Index of Refraction: 1.767
Molar Refractivity: 148.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 268.18
ACD/KOC (pH 5.5): 1904.10
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 268.59
ACD/KOC (pH 7.4): 1906.96
Polar Surface Area: 128 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 357.2±7.0 cm3

Click to predict properties on the Chemicalize site


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