4-{[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}phenyl 4-methoxybenzoate
Chemical Structure Depiction of
4-{[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}phenyl 4-methoxybenzoate
4-{[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}phenyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 3794-0198 |
| Compound Name: | 4-{[(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)imino]methyl}phenyl 4-methoxybenzoate |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C25 H21 N3 O4 S |
| Smiles: | COc1ccc(cc1)C(=O)Oc1ccc(/C=N/N2C=Nc3c(C2=O)c2CCCCc2s3)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3341 |
| logD: | 4.3294 |
| logSw: | -4.5042 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.958 |
| InChI Key: | VEMGFDQUTFPMIO-UHFFFAOYSA-N |