N-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
N-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
Compound characteristics
| Compound ID: | E598-0512 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-3-(3-fluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide |
| Molecular Weight: | 401.84 |
| Molecular Formula: | C21 H18 Cl F2 N3 O |
| Smiles: | C1CCc2c(C(Nc3ccc(c(c3)[Cl])F)=O)nc(c3cccc(c3)F)n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.8308 |
| logD: | 5.7895 |
| logSw: | -6.1555 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.17 |
| InChI Key: | PHLICLRGQZQFCH-UHFFFAOYSA-N |