N-(4-bromo-2-methylphenyl)-4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]butanamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]butanamide
N-(4-bromo-2-methylphenyl)-4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]butanamide
Compound characteristics
| Compound ID: | C046-0175 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-4-[2-(4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)acetamido]butanamide |
| Molecular Weight: | 517.44 |
| Molecular Formula: | C23 H25 Br N4 O3 S |
| Smiles: | Cc1cc(ccc1NC(CCCNC(CN1C=Nc2c(C1=O)c1CCCCc1s2)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.7901 |
| logD: | 2.7897 |
| logSw: | -3.2453 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.926 |
| InChI Key: | WWWSDKKMGZAMFR-UHFFFAOYSA-N |