methyl 3-[2-({4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)ethyl]benzoate
Chemical Structure Depiction of
methyl 3-[2-({4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)ethyl]benzoate
methyl 3-[2-({4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)ethyl]benzoate
Compound characteristics
| Compound ID: | SD40-0793 |
| Compound Name: | methyl 3-[2-({4-[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)ethyl]benzoate |
| Molecular Weight: | 476.58 |
| Molecular Formula: | C27 H32 N4 O4 |
| Smiles: | Cc1ncc(C(NCCc2cccc(c2)C(=O)OC)=O)c(C2CCN(CC2)C(C2CC=CC2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.0732 |
| logD: | 3.0732 |
| logSw: | -3.2433 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.078 |
| InChI Key: | RISNJQJLHUJHMG-UHFFFAOYSA-N |