methyl 4-[8-amino-3,7-dicyano-2-(methylamino)-5-oxo-4,6-dihydro-5H-pyrano[2,3-d]thieno[3,2-b]pyridin-6-yl]benzoate
Chemical Structure Depiction of
methyl 4-[8-amino-3,7-dicyano-2-(methylamino)-5-oxo-4,6-dihydro-5H-pyrano[2,3-d]thieno[3,2-b]pyridin-6-yl]benzoate
methyl 4-[8-amino-3,7-dicyano-2-(methylamino)-5-oxo-4,6-dihydro-5H-pyrano[2,3-d]thieno[3,2-b]pyridin-6-yl]benzoate
Compound characteristics
| Compound ID: | 8019-5873 |
| Compound Name: | methyl 4-[8-amino-3,7-dicyano-2-(methylamino)-5-oxo-4,6-dihydro-5H-pyrano[2,3-d]thieno[3,2-b]pyridin-6-yl]benzoate |
| Molecular Weight: | 433.44 |
| Molecular Formula: | C21 H15 N5 O4 S |
| Smiles: | CNc1c(C#N)c2c(C3=C(C(C(C#N)=C(N)O3)c3ccc(cc3)C(=O)OC)C(N2)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1865 |
| logD: | 1.1858 |
| logSw: | -2.1084 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 118.085 |
| InChI Key: | UKTBOJSRVIFHEA-ZDUSSCGKSA-N |