3-benzyl-7-hydroxy-4-methyl-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-7-hydroxy-4-methyl-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
3-benzyl-7-hydroxy-4-methyl-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0105 |
| Compound Name: | 3-benzyl-7-hydroxy-4-methyl-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 378.47 |
| Molecular Formula: | C23 H26 N2 O3 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc(c2CN1CCN(C)CC1)O |
| Stereo: | ACHIRAL |
| logP: | 3.3461 |
| logD: | 2.5471 |
| logSw: | -3.4122 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.33 |
| InChI Key: | MNACPHVXJWATKD-UHFFFAOYSA-N |