6-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-N~2~-(4-methoxyphenyl)-N~4~-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
Chemical Structure Depiction of
6-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-N~2~-(4-methoxyphenyl)-N~4~-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
6-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-N~2~-(4-methoxyphenyl)-N~4~-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
Compound characteristics
Compound ID: | 8001-0673 |
Compound Name: | 6-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-N~2~-(4-methoxyphenyl)-N~4~-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine |
Molecular Weight: | 500.47 |
Molecular Formula: | C24 H20 N8 O5 |
Smiles: | COc1ccc(cc1)Nc1nc(Nc2ccc(cc2)[N+]([O-])=O)nc(N/N=C/c2ccc3c(c2)OCO3)n1 |
Stereo: | ACHIRAL |
logP: | 6.3994 |
logD: | 6.3991 |
logSw: | -5.8048 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 130.51 |
InChI Key: | QOQBGWPSSFTIMW-UHFFFAOYSA-N |