ChemSpider 2D Image | N-[(11R)-6,11-Dihydrodibenzo[b,e]thiepin-11-yl]-4-[4-(4-fluorophenyl)-1-piperazinyl]butanamide | C28H30FN3OS

N-[(11R)-6,11-Dihydrodibenzo[b,e]thiepin-11-yl]-4-[4-(4-fluorophenyl)-1-piperazinyl]butanamide

  • Molecular FormulaC28H30FN3OS
  • Average mass475.621 Da
  • Monoisotopic mass475.209351 Da
  • ChemSpider ID32798371

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperazinebutanamide, N-[(11R)-6,11-dihydrodibenzo[b,e]thiepin-11-yl]-4-(4-fluorophenyl)- [ACD/Index Name]
N-[(11R)-6,11-Dihydrodibenzo[b,e]thiepin-11-yl]-4-[4-(4-fluorophenyl)-1-piperazinyl]butanamide [ACD/IUPAC Name]
N-[(11R)-6,11-Dihydrodibenzo[b,e]thiépin-11-yl]-4-[4-(4-fluorophényl)-1-pipérazinyl]butanamide [French] [ACD/IUPAC Name]
N-[(11R)-6,11-Dihydrodibenzo[b,e]thiepin-11-yl]-4-[4-(4-fluorphenyl)-1-piperazinyl]butanamid [German] [ACD/IUPAC Name]
103377-41-9 [RN]
Monatepil [INN] [Wiki]
UNII-N4MMI0J7PW

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

Density: 1.3±0.1 g/cm3
Boiling Point: 682.0±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: 366.3±31.5 °C
Index of Refraction: 1.669
Molar Refractivity: 138.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 155.88
ACD/KOC (pH 5.5): 448.46
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4214.36
ACD/KOC (pH 7.4): 12124.17
Polar Surface Area: 61 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 60.9±5.0 dyne/cm
Molar Volume: 369.8±5.0 cm3

Click to predict properties on the Chemicalize site


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