3-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
3-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | IB07-1475 |
| Compound Name: | 3-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 466.96 |
| Molecular Formula: | C26 H27 Cl N2 O4 |
| Smiles: | CC(=C)COc1ccc2C(C)=C(CC(N3CCN(CC3)c3cccc(c3)[Cl])=O)C(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.9 |
| logD: | 4.9 |
| logSw: | -5.82 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 89.25 |
| InChI Key: | ZZLRVJAQRJZPEF-UHFFFAOYSA-N |