1-[(4-methyl-3-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-[(4-methyl-3-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide
1-[(4-methyl-3-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | 6220-1301 |
| Compound Name: | 1-[(4-methyl-3-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide |
| Molecular Weight: | 331.44 |
| Molecular Formula: | C16 H21 N5 O S |
| Smiles: | CN1C(c2ccccc2)=NN(CN2CCC(CC2)C(N)=O)C1=S |
| Stereo: | ACHIRAL |
| logP: | 1.1808 |
| logD: | -2.1447 |
| logSw: | -2.0317 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.361 |
| InChI Key: | SHNAHIYKWBGIGG-UHFFFAOYSA-N |