1-{[3-(3,4-dimethoxyphenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-{[3-(3,4-dimethoxyphenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-4-carboxamide
1-{[3-(3,4-dimethoxyphenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F235-1201 |
| Compound Name: | 1-{[3-(3,4-dimethoxyphenyl)-4-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-4-carboxamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C23 H27 N5 O3 S |
| Smiles: | COc1ccc(cc1OC)C1=NN(CN2CCC(CC2)C(N)=O)C(N1c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 2.1269 |
| logD: | 0.4206 |
| logSw: | -2.7138 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.973 |
| InChI Key: | DOHAHWWRIMONGV-UHFFFAOYSA-N |