2,5-bis(1H-benzotriazol-1-yl)-3,6-bis(4-methoxyanilino)cyclohexa-2,5-diene-1,4-dione
Chemical Structure Depiction of
2,5-bis(1H-benzotriazol-1-yl)-3,6-bis(4-methoxyanilino)cyclohexa-2,5-diene-1,4-dione
2,5-bis(1H-benzotriazol-1-yl)-3,6-bis(4-methoxyanilino)cyclohexa-2,5-diene-1,4-dione
Compound characteristics
| Compound ID: | 5121-1265 |
| Compound Name: | 2,5-bis(1H-benzotriazol-1-yl)-3,6-bis(4-methoxyanilino)cyclohexa-2,5-diene-1,4-dione |
| Molecular Weight: | 584.59 |
| Molecular Formula: | C32 H24 N8 O4 |
| Smiles: | COc1ccc(cc1)NC1=C(C(C(=C(C1=O)n1c2ccccc2nn1)Nc1ccc(cc1)OC)=O)n1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.9018 |
| logD: | 4.7123 |
| logSw: | -4.6488 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.995 |
| InChI Key: | WHLJWFQHCXLGLG-UHFFFAOYSA-N |