3-methyl-N-[(4-methylphenyl)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
3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide
3-methyl-N-[(4-methylphenyl)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: | E213-0492 |
| Compound Name: | 3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepine-2-carboxamide |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | Cc1ccc(CNC(c2c(C)c3C(N4CCCCCC4=Nc3s2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.386 |
| logD: | 3.3857 |
| logSw: | -3.7874 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.035 |
| InChI Key: | RCADLQFRASLFJM-UHFFFAOYSA-N |