methyl 4-{8-amino-7-cyano-5-oxo-2-[(prop-2-en-1-yl)amino]-4,6-dihydro-5H-pyrano[2,3-d][1,3]thiazolo[4,5-b]pyridin-6-yl}benzoate
Chemical Structure Depiction of
methyl 4-{8-amino-7-cyano-5-oxo-2-[(prop-2-en-1-yl)amino]-4,6-dihydro-5H-pyrano[2,3-d][1,3]thiazolo[4,5-b]pyridin-6-yl}benzoate
methyl 4-{8-amino-7-cyano-5-oxo-2-[(prop-2-en-1-yl)amino]-4,6-dihydro-5H-pyrano[2,3-d][1,3]thiazolo[4,5-b]pyridin-6-yl}benzoate
Compound characteristics
| Compound ID: | 8019-6350 |
| Compound Name: | methyl 4-{8-amino-7-cyano-5-oxo-2-[(prop-2-en-1-yl)amino]-4,6-dihydro-5H-pyrano[2,3-d][1,3]thiazolo[4,5-b]pyridin-6-yl}benzoate |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C21 H17 N5 O4 S |
| Smiles: | COC(c1ccc(cc1)C1C(C#N)=C(N)OC2=C1C(Nc1c2sc(NCC=C)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5032 |
| logD: | 2.5031 |
| logSw: | -2.8834 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 113.799 |
| InChI Key: | CTLUZSYDCHVRMA-ZDUSSCGKSA-N |