1-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-methylpropan-1-one
1-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | 8016-7347 |
| Compound Name: | 1-{4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 390.32 |
| Molecular Formula: | C15 H17 F3 N4 O5 |
| Smiles: | CC(C)C(N1CCN(CC1)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7494 |
| logD: | 3.7494 |
| logSw: | -4.4352 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 85.978 |
| InChI Key: | YIVVYSMTJNUZPU-UHFFFAOYSA-N |