methyl 4-methyl-2-[(2-{5-[(propan-2-yl)sulfamoyl]-1H-benzotriazol-1-yl}ethyl)carbamamido]benzoate
Chemical Structure Depiction of
methyl 4-methyl-2-[(2-{5-[(propan-2-yl)sulfamoyl]-1H-benzotriazol-1-yl}ethyl)carbamamido]benzoate
methyl 4-methyl-2-[(2-{5-[(propan-2-yl)sulfamoyl]-1H-benzotriazol-1-yl}ethyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | G373-3275 |
| Compound Name: | methyl 4-methyl-2-[(2-{5-[(propan-2-yl)sulfamoyl]-1H-benzotriazol-1-yl}ethyl)carbamamido]benzoate |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C21 H26 N6 O5 S |
| Smiles: | CC(C)NS(c1ccc2c(c1)nnn2CCNC(Nc1cc(C)ccc1C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.016 |
| logD: | 2.0146 |
| logSw: | -3.0468 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.075 |
| InChI Key: | WAASHPBJRPPYNX-UHFFFAOYSA-N |