(4-methoxyphenyl)(4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)methanone
Chemical Structure Depiction of
(4-methoxyphenyl)(4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)methanone
(4-methoxyphenyl)(4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)methanone
Compound characteristics
| Compound ID: | 8011-7528 |
| Compound Name: | (4-methoxyphenyl)(4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl)methanone |
| Molecular Weight: | 249.29 |
| Molecular Formula: | C11 H11 N3 O2 S |
| Smiles: | CN1C=NN(C(c2ccc(cc2)OC)=O)C1=S |
| Stereo: | ACHIRAL |
| logP: | 0.5638 |
| logD: | 0.5638 |
| logSw: | -1.8515 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.975 |
| InChI Key: | PSQFTNDVFLJXPV-UHFFFAOYSA-N |