2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-[(4-bromophenyl)carbamoyl]benzene-1-sulfonate
Chemical Structure Depiction of
2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-[(4-bromophenyl)carbamoyl]benzene-1-sulfonate
2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-[(4-bromophenyl)carbamoyl]benzene-1-sulfonate
Compound characteristics
| Compound ID: | 8005-9203 |
| Compound Name: | 2-(2H-benzotriazol-2-yl)-4-methylphenyl 3-[(4-bromophenyl)carbamoyl]benzene-1-sulfonate |
| Molecular Weight: | 563.43 |
| Molecular Formula: | C26 H19 Br N4 O4 S |
| Smiles: | Cc1ccc(c(c1)n1nc2ccccc2n1)OS(c1cccc(c1)C(Nc1ccc(cc1)[Br])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2855 |
| logD: | 6.2722 |
| logSw: | -5.6272 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.911 |
| InChI Key: | XBLGAUJOPRZWEJ-UHFFFAOYSA-N |