6-methyl-4-{[(3-nitrophenyl)methylidene]amino}-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
Chemical Structure Depiction of
6-methyl-4-{[(3-nitrophenyl)methylidene]amino}-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
6-methyl-4-{[(3-nitrophenyl)methylidene]amino}-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
Compound characteristics
| Compound ID: | 2279-3451 |
| Compound Name: | 6-methyl-4-{[(3-nitrophenyl)methylidene]amino}-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one |
| Molecular Weight: | 291.29 |
| Molecular Formula: | C11 H9 N5 O3 S |
| Smiles: | CC1C(N(C(NN=1)=S)/N=C/c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3082 |
| logD: | 1.2238 |
| logSw: | -2.6035 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.073 |
| InChI Key: | DIAVYQVEXCPHAD-UHFFFAOYSA-N |