4-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoic acid
4-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoic acid
Compound characteristics
| Compound ID: | 8009-0091 |
| Compound Name: | 4-{[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoic acid |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C24 H20 N2 O3 S2 |
| Smiles: | C1CCc2c(C1)c1C(N(C(=Nc1s2)SCc1ccc(cc1)C(O)=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0735 |
| logD: | 2.102 |
| logSw: | -4.8622 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.391 |
| InChI Key: | JDEMLFSUNRYLRS-UHFFFAOYSA-N |