8-[(4-benzylpiperazin-1-yl)methyl]-3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-[(4-benzylpiperazin-1-yl)methyl]-3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-4H-1-benzopyran-4-one
8-[(4-benzylpiperazin-1-yl)methyl]-3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | D088-0392 |
| Compound Name: | 8-[(4-benzylpiperazin-1-yl)methyl]-3-(3,5-dimethylphenoxy)-7-hydroxy-2-methyl-4H-1-benzopyran-4-one |
| Molecular Weight: | 484.6 |
| Molecular Formula: | C30 H32 N2 O4 |
| Smiles: | CC1=C(C(c2ccc(c(CN3CCN(CC3)Cc3ccccc3)c2O1)O)=O)Oc1cc(C)cc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2206 |
| logD: | 4.8794 |
| logSw: | -4.8507 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.168 |
| InChI Key: | WRACOUADZLUMFH-UHFFFAOYSA-N |