4-(3-methoxyanilino)-4-oxo-2-({4-[(pyridin-3-yl)methyl]piperazin-1-yl}methyl)butanoic acid
Chemical Structure Depiction of
4-(3-methoxyanilino)-4-oxo-2-({4-[(pyridin-3-yl)methyl]piperazin-1-yl}methyl)butanoic acid
4-(3-methoxyanilino)-4-oxo-2-({4-[(pyridin-3-yl)methyl]piperazin-1-yl}methyl)butanoic acid
Compound characteristics
| Compound ID: | IB08-7200 |
| Compound Name: | 4-(3-methoxyanilino)-4-oxo-2-({4-[(pyridin-3-yl)methyl]piperazin-1-yl}methyl)butanoic acid |
| Molecular Weight: | 412.49 |
| Molecular Formula: | C22 H28 N4 O4 |
| Smiles: | COc1cccc(c1)NC(CC(CN1CCN(CC1)Cc1cccnc1)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.52 |
| logD: | -2.2 |
| logSw: | -1.36 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 133.81 |
| InChI Key: | KWJKROMTFFFHQS-SFHVURJKSA-N |