4-{6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl}-N-[4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-{6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl}-N-[4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
4-{6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl}-N-[4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V006-7335 |
| Compound Name: | 4-{6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl}-N-[4-(trifluoromethyl)phenyl]-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 515.55 |
| Molecular Formula: | C27 H29 F4 N5 O |
| Salt: | not_available |
| Smiles: | CCc1c(Cc2cccc(c2)F)c(nc(C)n1)N1CCCN(CC1)C(Nc1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2961 |
| logD: | 6.1865 |
| logSw: | -5.5392 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.41 |
| InChI Key: | SMHQPOYJKYMGDK-UHFFFAOYSA-N |