4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | D048-0202 |
| Compound Name: | 4-{[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C16 H16 N6 O S |
| Smiles: | CC1C(N(C(NN=1)=S)/N=C/c1c(C)nn(c2ccccc2)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7724 |
| logD: | 1.6489 |
| logSw: | -2.4053 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.11 |
| InChI Key: | JUZHQUHSMVZGPP-UHFFFAOYSA-N |