3-[({4-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)methyl]benzoic acid
Chemical Structure Depiction of
3-[({4-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)methyl]benzoic acid
3-[({4-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)methyl]benzoic acid
Compound characteristics
| Compound ID: | ZC47-0114 |
| Compound Name: | 3-[({4-[1-(cyclopropylmethyl)piperidin-4-yl]-2-methylpyrimidine-5-carbonyl}amino)methyl]benzoic acid |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C23 H28 N4 O3 |
| Salt: | HCOOH |
| Smiles: | Cc1ncc(C(NCc2cccc(c2)C(O)=O)=O)c(C2CCN(CC2)CC2CC2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2235 |
| logD: | 3.2235 |
| logSw: | -3.1906 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.52 |
| InChI Key: | QVCJEHDQBPVSSX-UHFFFAOYSA-N |