1-(2-methyl-4,6-dinitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}anilino)propan-2-ol
Chemical Structure Depiction of
1-(2-methyl-4,6-dinitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}anilino)propan-2-ol
1-(2-methyl-4,6-dinitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}anilino)propan-2-ol
Compound characteristics
| Compound ID: | 8014-2993 |
| Compound Name: | 1-(2-methyl-4,6-dinitro-3-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}anilino)propan-2-ol |
| Molecular Weight: | 528.44 |
| Molecular Formula: | C21 H23 F3 N6 O7 |
| Smiles: | CC(CNc1c(cc(c(c1C)N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)[N+]([O-])=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9589 |
| logD: | 3.9589 |
| logSw: | -4.2528 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 130.879 |
| InChI Key: | JIIQRXOSGXAWLQ-LBPRGKRZSA-N |