methyl 4-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate
methyl 4-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | 3325-0025 |
| Compound Name: | methyl 4-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C25 H22 N2 O3 S2 |
| Smiles: | COC(c1ccc(CSC2=Nc3c(C(N2c2ccccc2)=O)c2CCCCc2s3)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3161 |
| logD: | 5.3161 |
| logSw: | -5.4097 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.156 |
| InChI Key: | VOTFCSREZQUBFN-UHFFFAOYSA-N |