methyl 4-(5-amino-6,8-dicyano-2-{[4-(methoxycarbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-7-yl)benzoate
Chemical Structure Depiction of
methyl 4-(5-amino-6,8-dicyano-2-{[4-(methoxycarbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-7-yl)benzoate
methyl 4-(5-amino-6,8-dicyano-2-{[4-(methoxycarbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-7-yl)benzoate
Compound characteristics
| Compound ID: | 5066-0140 |
| Compound Name: | methyl 4-(5-amino-6,8-dicyano-2-{[4-(methoxycarbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-7-yl)benzoate |
| Molecular Weight: | 498.52 |
| Molecular Formula: | C26 H18 N4 O5 S |
| Smiles: | COC(c1ccc(/C=C2/C(N3C(=C(C#N)C(C(C#N)=C3S2)c2ccc(cc2)C(=O)OC)N)=O)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5131 |
| logD: | 3.5131 |
| logSw: | -3.8344 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.75 |
| InChI Key: | CDNCBBZPUJPFLJ-NRFANRHFSA-N |