methyl 4-chloro-2-({2-[5-(cyclopentylcarbamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-({2-[5-(cyclopentylcarbamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
methyl 4-chloro-2-({2-[5-(cyclopentylcarbamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | L693-0539 |
| Compound Name: | methyl 4-chloro-2-({2-[5-(cyclopentylcarbamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate |
| Molecular Weight: | 484.94 |
| Molecular Formula: | C23 H25 Cl N6 O4 |
| Smiles: | COC(c1ccc(cc1NC(NCCn1c2ccc(cc2nn1)C(NC1CCCC1)=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9258 |
| logD: | 2.7928 |
| logSw: | -3.6867 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.362 |
| InChI Key: | RGXPZZBFUIKPCX-UHFFFAOYSA-N |