methyl 2-({2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 2-({2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
methyl 2-({2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | G373-3645 |
| Compound Name: | methyl 2-({2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate |
| Molecular Weight: | 436.47 |
| Molecular Formula: | C22 H24 N6 O4 |
| Smiles: | COC(c1ccccc1NC(NCCn1c2ccc(cc2nn1)C(N1CCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5975 |
| logD: | 1.5955 |
| logSw: | -2.3766 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.871 |
| InChI Key: | WZXULBAJORWLPI-UHFFFAOYSA-N |