propan-2-yl 5-amino-6-cyano-3-oxo-7-[4-(propan-2-yl)phenyl]-2-{[4-(propan-2-yl)phenyl]methylidene}-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Chemical Structure Depiction of
propan-2-yl 5-amino-6-cyano-3-oxo-7-[4-(propan-2-yl)phenyl]-2-{[4-(propan-2-yl)phenyl]methylidene}-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
propan-2-yl 5-amino-6-cyano-3-oxo-7-[4-(propan-2-yl)phenyl]-2-{[4-(propan-2-yl)phenyl]methylidene}-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate
Compound characteristics
| Compound ID: | 5066-0040 |
| Compound Name: | propan-2-yl 5-amino-6-cyano-3-oxo-7-[4-(propan-2-yl)phenyl]-2-{[4-(propan-2-yl)phenyl]methylidene}-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-8-carboxylate |
| Molecular Weight: | 527.69 |
| Molecular Formula: | C31 H33 N3 O3 S |
| Smiles: | CC(C)c1ccc(/C=C2/C(N3C(=C(C#N)C(C(=C3S2)C(=O)OC(C)C)c2ccc(cc2)C(C)C)N)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.983 |
| logD: | 6.983 |
| logSw: | -5.8337 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.779 |
| InChI Key: | YPVSFODCBJJTQS-SANMLTNESA-N |