ChemSpider 2D Image | 1-[(10S)-8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-4-methylpiperazine | C19H21ClN2S

1-[(10S)-8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-4-methylpiperazine

  • Molecular FormulaC19H21ClN2S
  • Average mass344.901 Da
  • Monoisotopic mass344.111389 Da
  • ChemSpider ID23154738

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-[(10S)-8-Chlor-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-4-methylpiperazin [German] [ACD/IUPAC Name]
1-[(10S)-8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-4-methylpiperazine [ACD/IUPAC Name]
1-[(10S)-8-Chloro-10,11-dihydrodibenzo[b,f]thiépin-10-yl]-4-méthylpipérazine [French] [ACD/IUPAC Name]
41932-49-4 [RN]
Piperazine, 1-[(10S)-8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl]-4-methyl- [ACD/Index Name]
1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-yl)-4-methyl-piperazine
1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-yl)-4-methyl-piperazine
1-[(6R)-8-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]-4-methylpiperazine
1-[(6R)-8-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]-4-methyl-piperazine
1-[(9S)-6-chloro-2-thiatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-9-yl]-4-methylpiperazine
More...

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

48981H0IVO [DBID]
Lopac-O-111 [DBID]
NCGC00015759-01 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 437.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.5±3.0 kJ/mol
Flash Point: 218.6±28.7 °C
Index of Refraction: 1.639
Molar Refractivity: 99.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 2.00
ACD/KOC (pH 5.5): 10.71
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 98.68
ACD/KOC (pH 7.4): 527.96
Polar Surface Area: 32 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 277.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement