4-{[(2H-1,3-benzodioxol-5-yl)methylidene]amino}-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one
Chemical Structure Depiction of
4-{[(2H-1,3-benzodioxol-5-yl)methylidene]amino}-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one
4-{[(2H-1,3-benzodioxol-5-yl)methylidene]amino}-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one
Compound characteristics
| Compound ID: | 8012-9762 |
| Compound Name: | 4-{[(2H-1,3-benzodioxol-5-yl)methylidene]amino}-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one |
| Molecular Weight: | 334.33 |
| Molecular Formula: | C18 H14 N4 O3 |
| Smiles: | CC1=NN=C(C(N1/N=C/c1ccc2c(c1)OCO2)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8217 |
| logD: | 2.512 |
| logSw: | -3.2341 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.211 |
| InChI Key: | GEATVBKNXZHVHK-UHFFFAOYSA-N |