2-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-(3-methoxyanilino)-4-oxobutanoic acid
Chemical Structure Depiction of
2-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-(3-methoxyanilino)-4-oxobutanoic acid
2-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-(3-methoxyanilino)-4-oxobutanoic acid
Compound characteristics
| Compound ID: | IB09-3243 |
| Compound Name: | 2-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-4-(3-methoxyanilino)-4-oxobutanoic acid |
| Molecular Weight: | 365.43 |
| Molecular Formula: | C18 H27 N3 O5 |
| Smiles: | COc1cccc(c1)NC(CC(CN1CCN(CC1)CCO)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.13 |
| logD: | -2.84 |
| logSw: | -1.6 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 160.17 |
| InChI Key: | VRWCUZJCBNFBRO-AWEZNQCLSA-N |