Found 48 results

Search term: MF = 'C_{31}H_{35}N_{3}OS'
ChemSpider 2D Image | N-(6,11-Dihydrodibenzo[b,e]thiepin-11-yl)-4-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}butanamide | C31H35N3OS

N-(6,11-Dihydrodibenzo[b,e]thiepin-11-yl)-4-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}butanamide

  • Molecular FormulaC31H35N3OS
  • Average mass497.694 Da
  • Monoisotopic mass497.250092 Da
  • ChemSpider ID23239573

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Piperazinebutanamide, N-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)-4-[(2E)-3-phenyl-2-propen-1-yl]- [ACD/Index Name]
N-(6,11-Dihydrodibenzo[b,e]thiepin-11-yl)-4-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}butanamid [German] [ACD/IUPAC Name]
N-(6,11-Dihydrodibenzo[b,e]thiepin-11-yl)-4-{4-[(2E)-3-phenyl-2-propen-1-yl]-1-piperazinyl}butanamide [ACD/IUPAC Name]
N-(6,11-Dihydrodibenzo[b,e]thiépin-11-yl)-4-{4-[(2E)-3-phényl-2-propén-1-yl]-1-pipérazinyl}butanamide [French] [ACD/IUPAC Name]
N-(6,11-dihydrodibenzo[b,e]thiepin-11-yl)-4-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}butanamide
dimaleate
N-(5,11-Dihydro-10-thia-dibenzo[a,d]cyclohepten-5-yl)-4-[4-(3-phenyl-allyl)-piperazin-1-yl]-butyramide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 713.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 385.3±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 151.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 134.74
ACD/KOC (pH 5.5): 307.49
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 5926.16
ACD/KOC (pH 7.4): 13524.11
Polar Surface Area: 61 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 60.2±5.0 dyne/cm
Molar Volume: 407.0±5.0 cm3

Click to predict properties on the Chemicalize site


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