ethyl ({4-oxo-3-[(pyridin-4-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({4-oxo-3-[(pyridin-4-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate
ethyl ({4-oxo-3-[(pyridin-4-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | Y203-0135 |
| Compound Name: | ethyl ({4-oxo-3-[(pyridin-4-yl)methyl]-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl}sulfanyl)acetate |
| Molecular Weight: | 415.53 |
| Molecular Formula: | C20 H21 N3 O3 S2 |
| Smiles: | CCOC(CSC1=Nc2c(C(N1Cc1ccncc1)=O)c1CCCCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3504 |
| logD: | 3.3492 |
| logSw: | -3.5431 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.452 |
| InChI Key: | JKFFLTRTXYHJMI-UHFFFAOYSA-N |