6-{[2-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}-2,3-dimethoxybenzoic acid
Chemical Structure Depiction of
6-{[2-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}-2,3-dimethoxybenzoic acid
6-{[2-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}-2,3-dimethoxybenzoic acid
Compound characteristics
| Compound ID: | 4093-0011 |
| Compound Name: | 6-{[2-(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazinylidene]methyl}-2,3-dimethoxybenzoic acid |
| Molecular Weight: | 482.5 |
| Molecular Formula: | C26 H22 N6 O4 |
| Smiles: | COc1ccc(/C=N/Nc2nc3c(c4ccccc4n3Cc3ccccc3)nn2)c(C(O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 4.6923 |
| logD: | 1.6027 |
| logSw: | -4.5491 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.283 |
| InChI Key: | QDIGNAWMDCLKEJ-UHFFFAOYSA-N |