N-(4-bromo-2-methylphenyl)-5-methyl-4-oxo-3-[2-oxo-2-(piperidin-1-yl)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-5-methyl-4-oxo-3-[2-oxo-2-(piperidin-1-yl)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(4-bromo-2-methylphenyl)-5-methyl-4-oxo-3-[2-oxo-2-(piperidin-1-yl)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K847-0427 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-5-methyl-4-oxo-3-[2-oxo-2-(piperidin-1-yl)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 503.42 |
| Molecular Formula: | C22 H23 Br N4 O3 S |
| Smiles: | Cc1cc(ccc1NC(c1c(C)c2C(N(CC(N3CCCCC3)=O)C=Nc2s1)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.1687 |
| logD: | 3.084 |
| logSw: | -3.2804 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.027 |
| InChI Key: | PYUVNIDWJXQSHE-UHFFFAOYSA-N |