3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-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-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Compound characteristics
| Compound ID: | E213-0408 |
| Compound Name: | 3-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 416.58 |
| Molecular Formula: | C22 H32 N4 O2 S |
| Smiles: | CC1CCN(CCCNC(c2c(C)c3C(N4CCCCCC4=Nc3s2)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.6556 |
| logD: | 0.1954 |
| logSw: | -2.913 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.859 |
| InChI Key: | GWBNEWYVLAQMRD-UHFFFAOYSA-N |