3-methyl-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Chemical Structure Depiction of
3-methyl-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
3-methyl-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Compound characteristics
| Compound ID: | E213-0588 |
| Compound Name: | 3-methyl-N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 464.63 |
| Molecular Formula: | C26 H32 N4 O2 S |
| Smiles: | CC1CCN(CC1)Cc1ccc(cc1)NC(c1c(C)c2C(N3CCCCCC3=Nc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0048 |
| logD: | 2.5551 |
| logSw: | -4.1175 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.446 |
| InChI Key: | NVXFUBYYRVGIPT-UHFFFAOYSA-N |