methyl [5-amino-7-(2-chlorophenyl)-6-cyano-8-(methylcarbamoyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate
Chemical Structure Depiction of
methyl [5-amino-7-(2-chlorophenyl)-6-cyano-8-(methylcarbamoyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate
methyl [5-amino-7-(2-chlorophenyl)-6-cyano-8-(methylcarbamoyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate
Compound characteristics
| Compound ID: | Y010-0965 |
| Compound Name: | methyl [5-amino-7-(2-chlorophenyl)-6-cyano-8-(methylcarbamoyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate |
| Molecular Weight: | 432.88 |
| Molecular Formula: | C19 H17 Cl N4 O4 S |
| Smiles: | CNC(C1C(C(C#N)=C(N)N2C=1SC(CC(=O)OC)C2=O)c1ccccc1[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.277 |
| logD: | 1.277 |
| logSw: | -2.5335 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.032 |
| InChI Key: | QPPFUPGVVSZLAT-UHFFFAOYSA-N |