methyl 4-(2-{[(6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[(6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[(6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | Y042-4563 |
| Compound Name: | methyl 4-(2-{[(6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C18 H17 N3 O4 S2 |
| Smiles: | Cc1cc2C(NC(CSCC(Nc3ccc(cc3)C(=O)OC)=O)=Nc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1605 |
| logD: | 3.1601 |
| logSw: | -3.5622 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.126 |
| InChI Key: | YMDJQUOMYFNKSH-UHFFFAOYSA-N |