3-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Chemical Structure Depiction of
3-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
3-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Compound characteristics
| Compound ID: | E213-0503 |
| Compound Name: | 3-methyl-4-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 445.63 |
| Molecular Formula: | C23 H35 N5 O2 S |
| Smiles: | CCCN1CCN(CCCNC(c2c(C)c3C(N4CCCCCC4=Nc3s2)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.8836 |
| logD: | 0.9188 |
| logSw: | -2.1895 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.65 |
| InChI Key: | WBGNLGZHFAIADJ-UHFFFAOYSA-N |