dimethyl 2-({2-[5-(dimethylcarbamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzene-1,4-dicarboxylate
Chemical Structure Depiction of
dimethyl 2-({2-[5-(dimethylcarbamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzene-1,4-dicarboxylate
dimethyl 2-({2-[5-(dimethylcarbamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzene-1,4-dicarboxylate
Compound characteristics
| Compound ID: | G373-3310 |
| Compound Name: | dimethyl 2-({2-[5-(dimethylcarbamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzene-1,4-dicarboxylate |
| Molecular Weight: | 468.47 |
| Molecular Formula: | C22 H24 N6 O6 |
| Smiles: | CN(C)C(c1ccc2c(c1)nnn2CCNC(Nc1cc(ccc1C(=O)OC)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6597 |
| logD: | 0.652 |
| logSw: | -2.2222 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.032 |
| InChI Key: | QTQGYXYHRUZAQT-UHFFFAOYSA-N |