ethyl 4-(2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | K292-0431 |
| Compound Name: | ethyl 4-(2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 544.44 |
| Molecular Formula: | C23 H18 Br N3 O4 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1=Nc2ccsc2C(N1c1ccc(cc1)[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3463 |
| logD: | 5.3463 |
| logSw: | -5.3011 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.081 |
| InChI Key: | UJGXIGWVZSGVEU-UHFFFAOYSA-N |