methyl 2-(2-{[3-(3-bromobenzamido)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[3-(3-bromobenzamido)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[3-(3-bromobenzamido)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | K292-1830 |
| Compound Name: | methyl 2-(2-{[3-(3-bromobenzamido)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 573.44 |
| Molecular Formula: | C23 H17 Br N4 O5 S2 |
| Smiles: | COC(c1ccccc1NC(CSC1=Nc2ccsc2C(N1NC(c1cccc(c1)[Br])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7152 |
| logD: | 3.7069 |
| logSw: | -4.0203 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.816 |
| InChI Key: | CXYVWNNMIACCJA-UHFFFAOYSA-N |