4-{[(4-methoxyphenyl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
4-{[(4-methoxyphenyl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
4-{[(4-methoxyphenyl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | 5069-0064 |
| Compound Name: | 4-{[(4-methoxyphenyl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 276.31 |
| Molecular Formula: | C12 H12 N4 O2 S |
| Smiles: | CC1C(N(C(NN=1)=S)/N=C/c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3153 |
| logD: | 1.2221 |
| logSw: | -2.3836 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.235 |
| InChI Key: | JBOJLCRPMLDLJU-UHFFFAOYSA-N |