{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}(4-methoxyphenyl)methanone
Chemical Structure Depiction of
{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}(4-methoxyphenyl)methanone
{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}(4-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | 8014-0459 |
| Compound Name: | {4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}(4-methoxyphenyl)methanone |
| Molecular Weight: | 454.36 |
| Molecular Formula: | C19 H17 F3 N4 O6 |
| Smiles: | COc1ccc(cc1)C(N1CCN(CC1)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0805 |
| logD: | 4.0805 |
| logSw: | -4.4914 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 93.25 |
| InChI Key: | HSUATZDGSCMEHE-UHFFFAOYSA-N |