4-[(4-benzylpiperazin-1-yl)methyl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
Chemical Structure Depiction of
4-[(4-benzylpiperazin-1-yl)methyl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
4-[(4-benzylpiperazin-1-yl)methyl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
Compound characteristics
Compound ID: | D089-0516 |
Compound Name: | 4-[(4-benzylpiperazin-1-yl)methyl]-N-(2,4-dimethylphenyl)-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide |
Molecular Weight: | 483.61 |
Molecular Formula: | C30 H33 N3 O3 |
Smiles: | Cc1ccc(c(C)c1)NC(c1c2c(CN3CCN(CC3)Cc3ccccc3)c(ccc2oc1C)O)=O |
Stereo: | ACHIRAL |
logP: | 5.1983 |
logD: | 5.0085 |
logSw: | -5.0318 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 54.4 |
InChI Key: | IRPQXUKMOKFSQE-UHFFFAOYSA-N |