4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-1-benzopyran-2-one
4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-4903 |
| Compound Name: | 4,8-dimethyl-7-[(2-methylprop-2-en-1-yl)oxy]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 460.57 |
| Molecular Formula: | C28 H32 N2 O4 |
| Smiles: | CC(=C)COc1ccc2C(C)=C(CCC(N3CCN(CC3)c3ccccc3)=O)C(=O)Oc2c1C |
| Stereo: | ACHIRAL |
| logP: | 5.0046 |
| logD: | 5.0045 |
| logSw: | -4.7126 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.811 |
| InChI Key: | XVVDASNNMKCBPJ-UHFFFAOYSA-N |