1-[(4-cyclohexyl-3-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-[(4-cyclohexyl-3-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide
1-[(4-cyclohexyl-3-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide
Compound characteristics
Compound ID: | 8018-0224 |
Compound Name: | 1-[(4-cyclohexyl-3-phenyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl]piperidine-4-carboxamide |
Molecular Weight: | 399.56 |
Molecular Formula: | C21 H29 N5 O S |
Smiles: | C1CCC(CC1)N1C(c2ccccc2)=NN(CN2CCC(CC2)C(N)=O)C1=S |
Stereo: | ACHIRAL |
logP: | 3.0259 |
logD: | -1.733 |
logSw: | -3.0215 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 57.545 |
InChI Key: | FWGNWSHTZZSXFY-UHFFFAOYSA-N |