N-[2-(dimethylamino)ethyl]-N-[(furan-2-yl)methyl]-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-[2-(dimethylamino)ethyl]-N-[(furan-2-yl)methyl]-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
N-[2-(dimethylamino)ethyl]-N-[(furan-2-yl)methyl]-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: | E213-0580 |
| Compound Name: | N-[2-(dimethylamino)ethyl]-N-[(furan-2-yl)methyl]-3-methyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C22 H28 N4 O3 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(N(CCN(C)C)Cc1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5825 |
| logD: | 1.8023 |
| logSw: | -2.6647 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.426 |
| InChI Key: | NGFGNRISESTHFQ-UHFFFAOYSA-N |