Found 1 result

Search term: COc1ccc(cc1)-c1nsc(C)c1C(=O)NC(=N)NCc1cc(Cl)c(N)c(Cl)c1 (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | N-[N-(4-Amino-3,5-dichlorobenzyl)carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide | C20H19Cl2N5O2S

N-[N-(4-Amino-3,5-dichlorobenzyl)carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide

  • Molecular FormulaC20H19Cl2N5O2S
  • Average mass464.368 Da
  • Monoisotopic mass463.063660 Da
  • ChemSpider ID28670115

More details:

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

4-Isothiazolecarboxamide, N-[(E)-[[(4-amino-3,5-dichlorophenyl)methyl]amino]iminomethyl]-3-(4-methoxyphenyl)-5-methyl- [ACD/Index Name]
N-[N-(4-Amino-3,5-dichlorbenzyl)carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
N-[N-(4-Amino-3,5-dichlorobenzyl)carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide [ACD/IUPAC Name]
N-[N-(4-Amino-3,5-dichlorobenzyl)carbamimidoyl]-3-(4-méthoxyphényl)-5-méthyl-1,2-thiazole-4-carboxamide [French] [ACD/IUPAC Name]
0VA

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

Density: 1.5±0.1 g/cm3
Boiling Point: 594.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 313.0±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 118.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 192.09
ACD/KOC (pH 5.5): 1499.71
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 192.29
ACD/KOC (pH 7.4): 1501.30
Polar Surface Area: 144 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 311.7±7.0 cm3

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