3-{[(1-benzylpiperidin-4-yl)amino]methyl}-1-[(4-ethenylphenyl)methyl]-1H-indole-2-carboxylic acid
Chemical Structure Depiction of
3-{[(1-benzylpiperidin-4-yl)amino]methyl}-1-[(4-ethenylphenyl)methyl]-1H-indole-2-carboxylic acid
3-{[(1-benzylpiperidin-4-yl)amino]methyl}-1-[(4-ethenylphenyl)methyl]-1H-indole-2-carboxylic acid
Compound characteristics
Compound ID: | C753-1654 |
Compound Name: | 3-{[(1-benzylpiperidin-4-yl)amino]methyl}-1-[(4-ethenylphenyl)methyl]-1H-indole-2-carboxylic acid |
Molecular Weight: | 479.62 |
Molecular Formula: | C31 H33 N3 O2 |
Smiles: | C=Cc1ccc(Cn2c(C(O)=O)c(CNC3CCN(CC3)Cc3ccccc3)c3ccccc23)cc1 |
Stereo: | ACHIRAL |
logP: | 4.9833 |
logD: | 4.9833 |
logSw: | -4.6474 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 43.699 |
InChI Key: | XYMACVKTGPXMHF-UHFFFAOYSA-N |