[3,5-bis(trifluoromethyl)phenyl](4-{5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
Chemical Structure Depiction of
[3,5-bis(trifluoromethyl)phenyl](4-{5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
[3,5-bis(trifluoromethyl)phenyl](4-{5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}-1,4-diazepan-1-yl)methanone
Compound characteristics
| Compound ID: | V031-0159 |
| Compound Name: | [3,5-bis(trifluoromethyl)phenyl](4-{5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl}-1,4-diazepan-1-yl)methanone |
| Molecular Weight: | 554.51 |
| Molecular Formula: | C27 H25 F7 N4 O |
| Salt: | not_available |
| Smiles: | Cc1c(Cc2cccc(c2)F)c(nc(C)n1)N1CCCN(CC1)C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2381 |
| logD: | 6.1492 |
| logSw: | -5.5841 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.9 |
| InChI Key: | UOFQBNRXINKISE-UHFFFAOYSA-N |