methyl 4-{[(5,6-dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(5,6-dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate
methyl 4-{[(5,6-dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate
Compound characteristics
| Compound ID: | 3326-0041 |
| Compound Name: | methyl 4-{[(5,6-dimethyl-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}benzoate |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C23 H20 N2 O3 S2 |
| Smiles: | Cc1c2C(N(C(=Nc2sc1C)SCc1ccc(cc1)C(=O)OC)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8584 |
| logD: | 4.8584 |
| logSw: | -4.7969 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.236 |
| InChI Key: | XZJGLMLPACFWQM-UHFFFAOYSA-N |