ethyl 2-{[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]amino}-1,3-benzothiazole-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]amino}-1,3-benzothiazole-6-carboxylate
ethyl 2-{[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]amino}-1,3-benzothiazole-6-carboxylate
Compound characteristics
| Compound ID: | 8016-0446 |
| Compound Name: | ethyl 2-{[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]amino}-1,3-benzothiazole-6-carboxylate |
| Molecular Weight: | 410.37 |
| Molecular Formula: | C17 H13 F3 N4 O3 S |
| Smiles: | CCOC(c1ccc2c(c1)sc(NC1(C(C#N)=C(C)NC1=O)C(F)(F)F)n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.967 |
| logD: | 3.4438 |
| logSw: | -4.1041 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.291 |
| InChI Key: | ORGQYIWXQCCQON-INIZCTEOSA-N |