Found 62 results

Search term: MF = 'C_{16}H_{16}Cl_{2}N_{4}S'
ChemSpider 2D Image | 3-Chloro-5-[4-(4-chlorobenzyl)-1,4-diazepan-1-yl]-1,2-thiazole-4-carbonitrile | C16H16Cl2N4S

3-Chloro-5-[4-(4-chlorobenzyl)-1,4-diazepan-1-yl]-1,2-thiazole-4-carbonitrile

  • Molecular FormulaC16H16Cl2N4S
  • Average mass367.296 Da
  • Monoisotopic mass366.047272 Da
  • ChemSpider ID30728607

More details:

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

3-Chlor-5-[4-(4-chlorbenzyl)-1,4-diazepan-1-yl]-1,2-thiazol-4-carbonitril [German] [ACD/IUPAC Name]
3-Chloro-5-[4-(4-chlorobenzyl)-1,4-diazepan-1-yl]-1,2-thiazole-4-carbonitrile [ACD/IUPAC Name]
3-Chloro-5-[4-(4-chlorobenzyl)-1,4-diazépan-1-yl]-1,2-thiazole-4-carbonitrile [French] [ACD/IUPAC Name]
4-Isothiazolecarbonitrile, 3-chloro-5-[4-[(4-chlorophenyl)methyl]hexahydro-1H-1,4-diazepin-1-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 455.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 229.0±28.7 °C
Index of Refraction: 1.662
Molar Refractivity: 95.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 11.80
ACD/KOC (pH 5.5): 90.10
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 171.61
ACD/KOC (pH 7.4): 1310.25
Polar Surface Area: 71 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 69.9±5.0 dyne/cm
Molar Volume: 257.1±5.0 cm3

Click to predict properties on the Chemicalize site


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