8-[(4-benzylpiperazin-1-yl)methyl]-3-(4-chlorophenyl)-7-hydroxy-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-[(4-benzylpiperazin-1-yl)methyl]-3-(4-chlorophenyl)-7-hydroxy-4H-1-benzopyran-4-one
8-[(4-benzylpiperazin-1-yl)methyl]-3-(4-chlorophenyl)-7-hydroxy-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 5847-0262 |
| Compound Name: | 8-[(4-benzylpiperazin-1-yl)methyl]-3-(4-chlorophenyl)-7-hydroxy-4H-1-benzopyran-4-one |
| Molecular Weight: | 460.96 |
| Molecular Formula: | C27 H25 Cl N2 O3 |
| Smiles: | C1CN(CCN1Cc1ccccc1)Cc1c(ccc2C(C(=COc12)c1ccc(cc1)[Cl])=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.5161 |
| logD: | 4.1053 |
| logSw: | -4.5988 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.365 |
| InChI Key: | SIMYSFRVSLNZHC-UHFFFAOYSA-N |