[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl][3,5-bis(trifluoromethyl)phenyl]methanone
Chemical Structure Depiction of
[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl][3,5-bis(trifluoromethyl)phenyl]methanone
[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl][3,5-bis(trifluoromethyl)phenyl]methanone
Compound characteristics
| Compound ID: | V008-3206 |
| Compound Name: | [4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl][3,5-bis(trifluoromethyl)phenyl]methanone |
| Molecular Weight: | 536.52 |
| Molecular Formula: | C27 H26 F6 N4 O |
| Salt: | not_available |
| Smiles: | Cc1c(Cc2ccccc2)c(nc(C)n1)N1CCCN(CC1)C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0704 |
| logD: | 5.9815 |
| logSw: | -5.5566 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.9 |
| InChI Key: | XDGOEJSPZCZBAQ-UHFFFAOYSA-N |