Found 48 results

Search term: MF = 'C_{31}H_{35}N_{3}OS'
ChemSpider 2D Image | N-{4-[4-(Diphenylmethyl)-1,4-diazepan-1-yl]butyl}-1-benzothiophene-2-carboxamide | C31H35N3OS

N-{4-[4-(Diphenylmethyl)-1,4-diazepan-1-yl]butyl}-1-benzothiophene-2-carboxamide

  • Molecular FormulaC31H35N3OS
  • Average mass497.694 Da
  • Monoisotopic mass497.250092 Da
  • ChemSpider ID23300821

More details:

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

Benzo[b]thiophene-2-carboxamide, N-[4-[4-(diphenylmethyl)hexahydro-1H-1,4-diazepin-1-yl]butyl]- [ACD/Index Name]
N-{4-[4-(Diphenylmethyl)-1,4-diazepan-1-yl]butyl}-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
N-{4-[4-(Diphenylmethyl)-1,4-diazepan-1-yl]butyl}-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
N-{4-[4-(Diphénylméthyl)-1,4-diazépan-1-yl]butyl}-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]
CHEMBL401224
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL401224/
N-{4-[4-(diphenylmethyl)-1,4-diazepan-1- yl]butyl}-benzo[b]thiophen-2-carboxamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 682.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.5±31.5 °C
Index of Refraction: 1.629
Molar Refractivity: 151.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 22.76
ACD/KOC (pH 5.5): 46.19
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 478.49
ACD/KOC (pH 7.4): 971.10
Polar Surface Area: 64 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 427.4±3.0 cm3

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