1-({3-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-({3-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)piperidine-4-carboxamide
1-({3-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)piperidine-4-carboxamide
Compound characteristics
Compound ID: | 8008-1461 |
Compound Name: | 1-({3-[(3,4-dimethylphenoxy)methyl]-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl}methyl)piperidine-4-carboxamide |
Molecular Weight: | 389.52 |
Molecular Formula: | C19 H27 N5 O2 S |
Smiles: | Cc1ccc(cc1C)OCC1=NN(CN2CCC(CC2)C(N)=O)C(N1C)=S |
Stereo: | ACHIRAL |
logP: | 2.0226 |
logD: | -3.0501 |
logSw: | -2.5026 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.716 |
InChI Key: | AJUIQWILDPXQKZ-UHFFFAOYSA-N |