4-{[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
4-{[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
4-{[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | 2798-1959 |
| Compound Name: | 4-{[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 337.31 |
| Molecular Formula: | C12 H11 N5 O5 S |
| Smiles: | CC1C(N(C(NN=1)=S)/N=C/c1cc(c(c(c1)OC)O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0004 |
| logD: | 0.1201 |
| logSw: | -2.181 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.882 |
| InChI Key: | JPSJCQBCSUGGGV-UHFFFAOYSA-N |