1-{[3-(3-methoxyphenyl)-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-{[3-(3-methoxyphenyl)-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-4-carboxamide
1-{[3-(3-methoxyphenyl)-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | 8008-5014 |
| Compound Name: | 1-{[3-(3-methoxyphenyl)-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-4-carboxamide |
| Molecular Weight: | 361.46 |
| Molecular Formula: | C17 H23 N5 O2 S |
| Smiles: | CN1C(c2cccc(c2)OC)=NN(CN2CCC(CC2)C(N)=O)C1=S |
| Stereo: | ACHIRAL |
| logP: | 1.3222 |
| logD: | -2.0033 |
| logSw: | -2.1595 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.905 |
| InChI Key: | YURBCHPJNXEVOF-UHFFFAOYSA-N |