2-anilino-5,6-bis(1H-benzotriazol-1-yl)-3-(1H-benzotriazol-1-yl)cyclohexa-2,5-diene-1,4-dione
Chemical Structure Depiction of
2-anilino-5,6-bis(1H-benzotriazol-1-yl)-3-(1H-benzotriazol-1-yl)cyclohexa-2,5-diene-1,4-dione
2-anilino-5,6-bis(1H-benzotriazol-1-yl)-3-(1H-benzotriazol-1-yl)cyclohexa-2,5-diene-1,4-dione
Compound characteristics
| Compound ID: | 5121-1288 |
| Compound Name: | 2-anilino-5,6-bis(1H-benzotriazol-1-yl)-3-(1H-benzotriazol-1-yl)cyclohexa-2,5-diene-1,4-dione |
| Molecular Weight: | 550.54 |
| Molecular Formula: | C30 H18 N10 O2 |
| Smiles: | c1ccc(cc1)NC1=C(C(C(=C(C1=O)n1c2ccccc2nn1)n1c2ccccc2nn1)=O)n1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.2081 |
| logD: | 4.0638 |
| logSw: | -4.435 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 112.276 |
| InChI Key: | UCBAKOFFMHSRAW-UHFFFAOYSA-N |