2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-(pyrrolidine-1-sulfonyl)benzoate
Chemical Structure Depiction of
2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-(pyrrolidine-1-sulfonyl)benzoate
2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-(pyrrolidine-1-sulfonyl)benzoate
Compound characteristics
| Compound ID: | 8008-5465 |
| Compound Name: | 2-(2H-benzotriazol-2-yl)-4-methylphenyl 4-bromo-3-(pyrrolidine-1-sulfonyl)benzoate |
| Molecular Weight: | 541.42 |
| Molecular Formula: | C24 H21 Br N4 O4 S |
| Smiles: | Cc1ccc(c(c1)n1nc2ccccc2n1)OC(c1ccc(c(c1)S(N1CCCC1)(=O)=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.318 |
| logD: | 5.318 |
| logSw: | -5.3517 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.513 |
| InChI Key: | IPNVIMBYCAFOKR-UHFFFAOYSA-N |