1-(2-{[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-N-(propan-2-yl)-1H-benzotriazole-5-sulfonamide
Chemical Structure Depiction of
1-(2-{[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-N-(propan-2-yl)-1H-benzotriazole-5-sulfonamide
1-(2-{[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-N-(propan-2-yl)-1H-benzotriazole-5-sulfonamide
Compound characteristics
| Compound ID: | L447-0333 |
| Compound Name: | 1-(2-{[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-N-(propan-2-yl)-1H-benzotriazole-5-sulfonamide |
| Molecular Weight: | 448.56 |
| Molecular Formula: | C19 H24 N6 O3 S2 |
| Smiles: | CC(C)NS(c1ccc2c(c1)nnn2CCNC(Nc1cccc(c1)SC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6726 |
| logD: | 2.6723 |
| logSw: | -3.269 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 100.599 |
| InChI Key: | SGWKRNSAMIFYLB-UHFFFAOYSA-N |