methyl 4-chloro-2-({2-[5-(diethylsulfamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-({2-[5-(diethylsulfamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
methyl 4-chloro-2-({2-[5-(diethylsulfamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | G373-3106 |
| Compound Name: | methyl 4-chloro-2-({2-[5-(diethylsulfamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate |
| Molecular Weight: | 508.98 |
| Molecular Formula: | C21 H25 Cl N6 O5 S |
| Smiles: | CCN(CC)S(c1ccc2c(c1)nnn2CCNC(Nc1cc(ccc1C(=O)OC)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5069 |
| logD: | 2.3738 |
| logSw: | -3.5371 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 110.953 |
| InChI Key: | IHBWSXALZSTBJL-UHFFFAOYSA-N |