N-(4-bromo-2-methylphenyl)-5-methyl-4-oxo-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-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-[4-(pyridin-2-yl)piperazin-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-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K823-2647 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-5-methyl-4-oxo-3-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 581.49 |
| Molecular Formula: | C26 H25 Br N6 O3 S |
| Smiles: | Cc1cc(ccc1NC(c1c(C)c2C(N(CC(N3CCN(CC3)c3ccccn3)=O)C=Nc2s1)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.4716 |
| logD: | 3.378 |
| logSw: | -3.9165 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.799 |
| InChI Key: | JNOPADKUOSVLRC-UHFFFAOYSA-N |