N-[(4-bromophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
N-[(4-bromophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
Compound characteristics
| Compound ID: | L995-0295 |
| Compound Name: | N-[(4-bromophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide |
| Molecular Weight: | 464.34 |
| Molecular Formula: | C19 H18 Br N3 O4 S |
| Smiles: | C1CCN(C1)C(c1c2cc(ccc2on1)S(NCc1ccc(cc1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6289 |
| logD: | 3.6286 |
| logSw: | -3.9166 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.21 |
| InChI Key: | JDEBDDFTOSENMS-UHFFFAOYSA-N |