methyl 3-({2-[5-(cyclopentylcarbamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 3-({2-[5-(cyclopentylcarbamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
methyl 3-({2-[5-(cyclopentylcarbamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | L693-0563 |
| Compound Name: | methyl 3-({2-[5-(cyclopentylcarbamoyl)-1H-benzotriazol-1-yl]ethyl}carbamamido)benzoate |
| Molecular Weight: | 450.5 |
| Molecular Formula: | C23 H26 N6 O4 |
| Smiles: | COC(c1cccc(c1)NC(NCCn1c2ccc(cc2nn1)C(NC1CCCC1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9769 |
| logD: | 2.9769 |
| logSw: | -3.3756 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.06 |
| InChI Key: | LOLMUSVRTVWHKG-UHFFFAOYSA-N |