4-{[(3-chlorophenyl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
4-{[(3-chlorophenyl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
4-{[(3-chlorophenyl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | 3232-1851 |
| Compound Name: | 4-{[(3-chlorophenyl)methylidene]amino}-6-methyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 280.73 |
| Molecular Formula: | C11 H9 Cl N4 O S |
| Smiles: | CC1C(N(C(NN=1)=S)/N=C/c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0388 |
| logD: | 1.9484 |
| logSw: | -2.9789 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.692 |
| InChI Key: | AAZNQHSIEWHLSC-UHFFFAOYSA-N |