ethyl 4-(2-{[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | Y042-4256 |
| Compound Name: | ethyl 4-(2-{[(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)methyl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C20 H21 N3 O4 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CSCC1NC(c2c(C)c(C)sc2N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0291 |
| logD: | 4.0288 |
| logSw: | -4.3052 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.706 |
| InChI Key: | JCIWQXDCQUHZJK-UHFFFAOYSA-N |