6-chloro-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-propyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-propyl-2H-1-benzopyran-2-one
6-chloro-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-propyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0034 |
| Compound Name: | 6-chloro-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-propyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 350.84 |
| Molecular Formula: | C18 H23 Cl N2 O3 |
| Smiles: | CCCC1=CC(=O)Oc2c1cc(c(c2CN1CCN(C)CC1)O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.3982 |
| logD: | 2.5993 |
| logSw: | -3.813 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.018 |
| InChI Key: | SFHKWMHJVSCOSC-UHFFFAOYSA-N |