methyl 4-chloro-2-({2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-({2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
methyl 4-chloro-2-({2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | L693-0042 |
| Compound Name: | methyl 4-chloro-2-({2-[5-(pyrrolidine-1-carbonyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate |
| Molecular Weight: | 470.91 |
| Molecular Formula: | C22 H23 Cl N6 O4 |
| Smiles: | COC(c1ccc(cc1NC(NCCn1c2ccc(cc2nn1)C(N1CCCC1)=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0923 |
| logD: | 1.9592 |
| logSw: | -3.4152 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.871 |
| InChI Key: | OUZGAUHKDNVESS-UHFFFAOYSA-N |