N-[3-(methylsulfanyl)phenyl]-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
N-[3-(methylsulfanyl)phenyl]-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide
Compound characteristics
| Compound ID: | L995-0125 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-3-(pyrrolidine-1-carbonyl)-1,2-benzoxazole-5-sulfonamide |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C19 H19 N3 O4 S2 |
| Smiles: | CSc1cccc(c1)NS(c1ccc2c(c1)c(C(N1CCCC1)=O)no2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2948 |
| logD: | 3.2719 |
| logSw: | -3.7255 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.102 |
| InChI Key: | ABAJEFADYALRDF-UHFFFAOYSA-N |