methyl 3-({2-[5-(dimethylcarbamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 3-({2-[5-(dimethylcarbamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
methyl 3-({2-[5-(dimethylcarbamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | L693-0311 |
| Compound Name: | methyl 3-({2-[5-(dimethylcarbamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C20 H22 N6 O4 |
| Smiles: | CN(C)C(c1ccc2c(c1)nnn2CCNC(Nc1cccc(c1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1152 |
| logD: | 1.1152 |
| logSw: | -2.047 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.555 |
| InChI Key: | CFVFPALNSRLERG-UHFFFAOYSA-N |