N-(4-cyanophenyl)-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
N-(4-cyanophenyl)-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
Compound characteristics
| Compound ID: | L995-0126 |
| Compound Name: | N-(4-cyanophenyl)-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide |
| Molecular Weight: | 396.42 |
| Molecular Formula: | C19 H16 N4 O4 S |
| Smiles: | C1CCN(C1)C(c1c2cc(ccc2on1)S(Nc1ccc(C#N)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5214 |
| logD: | 1.6684 |
| logSw: | -3.0884 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.158 |
| InChI Key: | LTJVCKBQJPRCMA-UHFFFAOYSA-N |