1-{[4-methyl-3-(phenoxymethyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-{[4-methyl-3-(phenoxymethyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-4-carboxamide
1-{[4-methyl-3-(phenoxymethyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperidine-4-carboxamide
Compound characteristics
Compound ID: | 8008-4495 |
Compound Name: | 1-{[4-methyl-3-(phenoxymethyl)-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(COc2ccccc2)=NN(CN2CCC(CC2)C(N)=O)C1=S |
Stereo: | ACHIRAL |
logP: | 0.9577 |
logD: | -4.1151 |
logSw: | -1.858 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.716 |
InChI Key: | FEYDYMQIXOBRQB-UHFFFAOYSA-N |