5-[(2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)sulfanyl]-1,3,4-thiadiazol-2-amine
Chemical Structure Depiction of
5-[(2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)sulfanyl]-1,3,4-thiadiazol-2-amine
5-[(2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)sulfanyl]-1,3,4-thiadiazol-2-amine
Compound characteristics
| Compound ID: | 8010-8921 |
| Compound Name: | 5-[(2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)sulfanyl]-1,3,4-thiadiazol-2-amine |
| Molecular Weight: | 434.46 |
| Molecular Formula: | C15 H17 F3 N6 O2 S2 |
| Smiles: | C1CN(CCN1CCSc1nnc(N)s1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.6193 |
| logD: | 2.4241 |
| logSw: | -3.0969 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.652 |
| InChI Key: | FZLGPOCBNXHQEW-UHFFFAOYSA-N |