7-hydroxy-4,8-dimethyl-6-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-hydroxy-4,8-dimethyl-6-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
7-hydroxy-4,8-dimethyl-6-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-3549 |
| Compound Name: | 7-hydroxy-4,8-dimethyl-6-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 302.37 |
| Molecular Formula: | C17 H22 N2 O3 |
| Smiles: | CC1=CC(=O)Oc2c1cc(CN1CCN(C)CC1)c(c2C)O |
| Stereo: | ACHIRAL |
| logP: | 1.9641 |
| logD: | 1.1651 |
| logSw: | -2.5311 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.018 |
| InChI Key: | ZMNLWYJJHNSDCQ-UHFFFAOYSA-N |