N-[(furan-2-yl)methyl]-3-methyl-4-oxo-N-[(oxolan-2-yl)methyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-3-methyl-4-oxo-N-[(oxolan-2-yl)methyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
N-[(furan-2-yl)methyl]-3-methyl-4-oxo-N-[(oxolan-2-yl)methyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
Compound characteristics
| Compound ID: | E213-0573 |
| Compound Name: | N-[(furan-2-yl)methyl]-3-methyl-4-oxo-N-[(oxolan-2-yl)methyl]-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C23 H27 N3 O4 S |
| Smiles: | Cc1c2C(N3CCCCCC3=Nc2sc1C(N(CC1CCCO1)Cc1ccco1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7732 |
| logD: | 2.7732 |
| logSw: | -2.8094 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.965 |
| InChI Key: | IVOVUYAOHTUZRE-QGZVFWFLSA-N |