4-(azepan-1-yl)-5-methyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}thieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
4-(azepan-1-yl)-5-methyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}thieno[2,3-d]pyrimidine-6-carboxamide
4-(azepan-1-yl)-5-methyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}thieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G895-0514 |
| Compound Name: | 4-(azepan-1-yl)-5-methyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}thieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 440.63 |
| Molecular Formula: | C23 H28 N4 O S2 |
| Smiles: | Cc1c2c(ncnc2sc1C(NCCc1ccc(cc1)SC)=O)N1CCCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.5186 |
| logD: | 5.4959 |
| logSw: | -5.4368 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.124 |
| InChI Key: | PXZMBGBRWOHZGK-UHFFFAOYSA-N |