5-methyl-4-({[3-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]amino}methylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
5-methyl-4-({[3-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]amino}methylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
5-methyl-4-({[3-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]amino}methylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 4896-1407 |
| Compound Name: | 5-methyl-4-({[3-(4-methylphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]amino}methylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 390.47 |
| Molecular Formula: | C20 H18 N6 O S |
| Smiles: | CC1/C(=C/Nn2c(c3ccc(C)cc3)nnc2S)C(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1482 |
| logD: | 2.1643 |
| logSw: | -3.2711 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.904 |
| InChI Key: | UYZMYGOGIUCFHY-UHFFFAOYSA-N |