5-(4-methylanilino)-3-(3-methylphenyl)-3H-anthra[1,2-d][1,2,3]triazole-6,11-dione
Chemical Structure Depiction of
5-(4-methylanilino)-3-(3-methylphenyl)-3H-anthra[1,2-d][1,2,3]triazole-6,11-dione
5-(4-methylanilino)-3-(3-methylphenyl)-3H-anthra[1,2-d][1,2,3]triazole-6,11-dione
Compound characteristics
| Compound ID: | IB01-1182 |
| Compound Name: | 5-(4-methylanilino)-3-(3-methylphenyl)-3H-anthra[1,2-d][1,2,3]triazole-6,11-dione |
| Molecular Weight: | 444.49 |
| Molecular Formula: | C28 H20 N4 O2 |
| Smiles: | Cc1ccc(cc1)Nc1cc2c(c3C(c4ccccc4C(c13)=O)=O)nnn2c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.05 |
| logD: | 7.05 |
| logSw: | -7.97 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.79 |
| InChI Key: | RDGBMWXZTLAFGC-UHFFFAOYSA-N |