methyl [5-amino-8-(benzylcarbamoyl)-6-cyano-7-(4-fluorophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate
Chemical Structure Depiction of
methyl [5-amino-8-(benzylcarbamoyl)-6-cyano-7-(4-fluorophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate
methyl [5-amino-8-(benzylcarbamoyl)-6-cyano-7-(4-fluorophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate
Compound characteristics
| Compound ID: | Y010-0983 |
| Compound Name: | methyl [5-amino-8-(benzylcarbamoyl)-6-cyano-7-(4-fluorophenyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate |
| Molecular Weight: | 492.53 |
| Molecular Formula: | C25 H21 F N4 O4 S |
| Smiles: | COC(CC1C(N2C(=C(C#N)C(C(=C2S1)C(NCc1ccccc1)=O)c1ccc(cc1)F)N)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.1506 |
| logD: | 2.1506 |
| logSw: | -2.705 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.61 |
| InChI Key: | ITCLRXFBSPYTMY-UHFFFAOYSA-N |