4-{[(3,4-dimethoxyphenyl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
4-{[(3,4-dimethoxyphenyl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
4-{[(3,4-dimethoxyphenyl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | 5069-0049 |
| Compound Name: | 4-{[(3,4-dimethoxyphenyl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 306.34 |
| Molecular Formula: | C13 H14 N4 O3 S |
| Smiles: | CC1C(N(C(NN=1)=S)/N=C/c1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0985 |
| logD: | 0.9766 |
| logSw: | -2.4389 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.952 |
| InChI Key: | LOLUGVXVHOFXIA-UHFFFAOYSA-N |