4-butyl-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
4-butyl-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0131 |
| Compound Name: | 4-butyl-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 330.43 |
| Molecular Formula: | C19 H26 N2 O3 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2CN1CCN(C)CC1)O |
| Stereo: | ACHIRAL |
| logP: | 2.7926 |
| logD: | 1.9937 |
| logSw: | -3.1758 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.087 |
| InChI Key: | KDKPNWODXFTQHZ-UHFFFAOYSA-N |