3-(4-chlorophenyl)-N-[3-(methylsulfanyl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
Chemical Structure Depiction of
3-(4-chlorophenyl)-N-[3-(methylsulfanyl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
3-(4-chlorophenyl)-N-[3-(methylsulfanyl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
Compound characteristics
| Compound ID: | E711-0095 |
| Compound Name: | 3-(4-chlorophenyl)-N-[3-(methylsulfanyl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide |
| Molecular Weight: | 411.95 |
| Molecular Formula: | C22 H22 Cl N3 O S |
| Smiles: | CSc1cccc(c1)NC(c1c2CCCCCn2c(c2ccc(cc2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0353 |
| logD: | 6.0353 |
| logSw: | -6.0876 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.17 |
| InChI Key: | XYYLYRHREKFFNP-UHFFFAOYSA-N |