3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide
Chemical Structure Depiction of
3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide
3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide
Compound characteristics
| Compound ID: | C105-0493 |
| Compound Name: | 3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-[3-(methylsulfanyl)phenyl]propanamide |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C16 H15 N3 O4 S2 |
| Smiles: | CSc1cccc(c1)NC(CCS(c1cccc2c1non2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9461 |
| logD: | 2.946 |
| logSw: | -3.5583 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.242 |
| InChI Key: | CASHZLWBTALHFH-UHFFFAOYSA-N |