ethyl 3-{4-[5-(dimethylsulfamoyl)-1H-benzotriazol-1-yl]butanamido}benzoate
Chemical Structure Depiction of
ethyl 3-{4-[5-(dimethylsulfamoyl)-1H-benzotriazol-1-yl]butanamido}benzoate
ethyl 3-{4-[5-(dimethylsulfamoyl)-1H-benzotriazol-1-yl]butanamido}benzoate
Compound characteristics
| Compound ID: | F848-0374 |
| Compound Name: | ethyl 3-{4-[5-(dimethylsulfamoyl)-1H-benzotriazol-1-yl]butanamido}benzoate |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C21 H25 N5 O5 S |
| Smiles: | CCOC(c1cccc(c1)NC(CCCn1c2ccc(cc2nn1)S(N(C)C)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2445 |
| logD: | 2.2445 |
| logSw: | -2.9795 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.21 |
| InChI Key: | XAHSAILOCDRQEZ-UHFFFAOYSA-N |