N-butyl-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-butyl-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-butyl-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: | E213-0577 |
| Compound Name: | N-butyl-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: | 413.54 |
| Molecular Formula: | C22 H27 N3 O3 S |
| Smiles: | CCCCN(Cc1ccco1)C(c1c(C)c2C(N3CCCCCC3=Nc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0043 |
| logD: | 4.0043 |
| logSw: | -3.9576 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.56 |
| InChI Key: | SQAWRFANUBFYTD-UHFFFAOYSA-N |