7-{2-hydroxy-3-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]propoxy}-3,4-dimethyl-2H-1-benzopyran-2-one--hydrogen chloride (1/2)
Chemical Structure Depiction of
7-{2-hydroxy-3-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]propoxy}-3,4-dimethyl-2H-1-benzopyran-2-one--hydrogen chloride (1/2)
7-{2-hydroxy-3-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]propoxy}-3,4-dimethyl-2H-1-benzopyran-2-one--hydrogen chloride (1/2)
Compound characteristics
| Compound ID: | Y041-4509 |
| Compound Name: | 7-{2-hydroxy-3-[4-(3-phenylprop-2-en-1-yl)piperazin-1-yl]propoxy}-3,4-dimethyl-2H-1-benzopyran-2-one--hydrogen chloride (1/2) |
| Molecular Weight: | 521.48 |
| Molecular Formula: | C27 H32 N2 O4 |
| Salt: | 2HCl |
| Smiles: | CC1=C(C)c2ccc(cc2OC1=O)OCC(CN1CCN(CC1)C/C=C/c1ccccc1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9336 |
| logD: | 3.7383 |
| logSw: | -4.0287 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.53 |
| InChI Key: | OEMOZOJPMJNSSK-CJHOVAGGSA-N |