4-{[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
4-{[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
4-{[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | 2798-1958 |
| Compound Name: | 4-{[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 371.21 |
| Molecular Formula: | C12 H11 Br N4 O3 S |
| Smiles: | CC1C(N(C(NN=1)=S)/N=C/c1cc(c(c(c1)[Br])O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4209 |
| logD: | 1.3187 |
| logSw: | -2.0959 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.801 |
| InChI Key: | NPDCGZUXSNDHNC-UHFFFAOYSA-N |