3-methyl-N-[3-(4-methylpiperazin-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-methylpiperazin-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-methylpiperazin-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: | E213-0407 |
| Compound Name: | 3-methyl-N-[3-(4-methylpiperazin-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: | 417.57 |
| Molecular Formula: | C21 H31 N5 O2 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(NCCCN1CCN(C)CC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0714 |
| logD: | -0.0789 |
| logSw: | -1.6113 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.336 |
| InChI Key: | FJRNWILVZCMBFT-UHFFFAOYSA-N |