3-(4-methoxyphenyl)-5-(4-methylanilino)-3H-anthra[1,2-d][1,2,3]triazole-6,11-dione
Chemical Structure Depiction of
3-(4-methoxyphenyl)-5-(4-methylanilino)-3H-anthra[1,2-d][1,2,3]triazole-6,11-dione
3-(4-methoxyphenyl)-5-(4-methylanilino)-3H-anthra[1,2-d][1,2,3]triazole-6,11-dione
Compound characteristics
| Compound ID: | IB01-0797 |
| Compound Name: | 3-(4-methoxyphenyl)-5-(4-methylanilino)-3H-anthra[1,2-d][1,2,3]triazole-6,11-dione |
| Molecular Weight: | 460.49 |
| Molecular Formula: | C28 H20 N4 O3 |
| Smiles: | Cc1ccc(cc1)Nc1cc2c(c3C(c4ccccc4C(c13)=O)=O)nnn2c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 6.54 |
| logD: | 6.54 |
| logSw: | -7.84 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.07 |
| InChI Key: | SQKJJWNFTHZZJW-UHFFFAOYSA-N |