N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Chemical Structure Depiction of
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Compound characteristics
| Compound ID: | E213-0410 |
| Compound Name: | N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 430.61 |
| Molecular Formula: | C23 H34 N4 O2 S |
| Smiles: | CC1CC(C)CN(CCCNC(c2c(C)c3C(N4CCCCCC4=Nc3s2)=O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1046 |
| logD: | 0.5577 |
| logSw: | -3.2157 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.726 |
| InChI Key: | BUJLDIAHGYQFGL-UHFFFAOYSA-N |