4-(piperidine-1-sulfonyl)-N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)benzamide
Chemical Structure Depiction of
4-(piperidine-1-sulfonyl)-N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)benzamide
4-(piperidine-1-sulfonyl)-N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)benzamide
Compound characteristics
| Compound ID: | 3330-2984 |
| Compound Name: | 4-(piperidine-1-sulfonyl)-N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)benzamide |
| Molecular Weight: | 525.57 |
| Molecular Formula: | C22 H22 F3 N5 O3 S2 |
| Smiles: | C1CCN(CC1)S(c1ccc(cc1)C(NCC1=NNC(N1c1cccc(c1)C(F)(F)F)=S)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5687 |
| logD: | 3.2341 |
| logSw: | -3.9749 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.225 |
| InChI Key: | QMTKDDOSLACHAQ-UHFFFAOYSA-N |