2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl 3,4-dimethoxybenzoate
Chemical Structure Depiction of
2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl 3,4-dimethoxybenzoate
2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl 3,4-dimethoxybenzoate
Compound characteristics
| Compound ID: | 8009-1163 |
| Compound Name: | 2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl 3,4-dimethoxybenzoate |
| Molecular Weight: | 483.44 |
| Molecular Formula: | C22 H24 F3 N3 O6 |
| Smiles: | COc1ccc(cc1OC)C(=O)OCCN1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 3.9684 |
| logD: | 3.9566 |
| logSw: | -4.282 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.298 |
| InChI Key: | NIVKGNPVLMJYNV-UHFFFAOYSA-N |