N-(3-bromophenyl)-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
Chemical Structure Depiction of
N-(3-bromophenyl)-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
N-(3-bromophenyl)-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
Compound characteristics
| Compound ID: | L995-0217 |
| Compound Name: | N-(3-bromophenyl)-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide |
| Molecular Weight: | 450.31 |
| Molecular Formula: | C18 H16 Br N3 O4 S |
| Smiles: | C1CCN(C1)C(c1c2cc(ccc2on1)S(Nc1cccc(c1)[Br])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6419 |
| logD: | 3.0763 |
| logSw: | -3.9269 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.102 |
| InChI Key: | YJTXRXCKVIAIQW-UHFFFAOYSA-N |