methyl 4-({2-[5-(dimethylsulfamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 4-({2-[5-(dimethylsulfamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
methyl 4-({2-[5-(dimethylsulfamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | G373-2016 |
| Compound Name: | methyl 4-({2-[5-(dimethylsulfamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C19 H22 N6 O5 S |
| Smiles: | CN(C)S(c1ccc2c(c1)nnn2CCNC(Nc1ccc(cc1)C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7908 |
| logD: | 1.7908 |
| logSw: | -2.6783 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.219 |
| InChI Key: | PFHNCPXQDDGJIC-UHFFFAOYSA-N |