4-nitro-N-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-5-amine
Chemical Structure Depiction of
4-nitro-N-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-5-amine
4-nitro-N-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-5-amine
Compound characteristics
| Compound ID: | K034-0125 |
| Compound Name: | 4-nitro-N-[2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl]-2,1,3-benzoxadiazol-5-amine |
| Molecular Weight: | 407.35 |
| Molecular Formula: | C18 H16 F3 N5 O3 |
| Smiles: | C1CCN(CC1)c1ccc(cc1Nc1ccc2c(c1[N+]([O-])=O)non2)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 6.2847 |
| logD: | 6.2836 |
| logSw: | -6.1959 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.776 |
| InChI Key: | IASSYVRKKVCMQM-UHFFFAOYSA-N |