3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-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-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Compound characteristics
| Compound ID: | E213-0566 |
| Compound Name: | 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 403.55 |
| Molecular Formula: | C20 H29 N5 O2 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(NCCN1CCN(C)CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9482 |
| logD: | 0.2807 |
| logSw: | -1.5236 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.336 |
| InChI Key: | VMAWVHPSJBNRKD-UHFFFAOYSA-N |