5-(4-methoxyphenyl)-3-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,2,4-triazine
Chemical Structure Depiction of
5-(4-methoxyphenyl)-3-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,2,4-triazine
5-(4-methoxyphenyl)-3-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,2,4-triazine
Compound characteristics
| Compound ID: | 5617-0314 |
| Compound Name: | 5-(4-methoxyphenyl)-3-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,2,4-triazine |
| Molecular Weight: | 394.34 |
| Molecular Formula: | C18 H14 N6 O5 |
| Smiles: | COc1ccc(cc1)c1cnnc(N/N=C/c2cc3c(cc2[N+]([O-])=O)OCO3)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.5539 |
| logD: | 3.5539 |
| logSw: | -3.7602 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.606 |
| InChI Key: | SOPSRBMLIVPTJI-UHFFFAOYSA-N |