propan-2-yl 5-amino-6-cyano-7-[4-(methoxycarbonyl)phenyl]-2-{[4-(methoxycarbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Chemical Structure Depiction of
propan-2-yl 5-amino-6-cyano-7-[4-(methoxycarbonyl)phenyl]-2-{[4-(methoxycarbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
propan-2-yl 5-amino-6-cyano-7-[4-(methoxycarbonyl)phenyl]-2-{[4-(methoxycarbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Compound characteristics
| Compound ID: | 5066-0143 |
| Compound Name: | propan-2-yl 5-amino-6-cyano-7-[4-(methoxycarbonyl)phenyl]-2-{[4-(methoxycarbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate |
| Molecular Weight: | 559.6 |
| Molecular Formula: | C29 H25 N3 O7 S |
| Smiles: | CC(C)OC(C1C(C(C#N)=C(N)N2C=1SC(=C/c1ccc(cc1)C(=O)OC)\C2=O)c1ccc(cc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4881 |
| logD: | 4.4881 |
| logSw: | -4.5892 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.126 |
| InChI Key: | XUEWSHYJHZGAKK-QFIPXVFZSA-N |