1-{2-[(2H-1,3-benzodioxol-5-yl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-sulfonamide
Chemical Structure Depiction of
1-{2-[(2H-1,3-benzodioxol-5-yl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-sulfonamide
1-{2-[(2H-1,3-benzodioxol-5-yl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-sulfonamide
Compound characteristics
| Compound ID: | G373-2979 |
| Compound Name: | 1-{2-[(2H-1,3-benzodioxol-5-yl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-sulfonamide |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C19 H22 N6 O5 S |
| Smiles: | CC(C)NS(c1ccc2c(c1)nnn2CCNC(Nc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0448 |
| logD: | 2.0445 |
| logSw: | -3.0865 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 117.714 |
| InChI Key: | ATRSDQCIGMSVRB-UHFFFAOYSA-N |