6-chloro-7-hydroxy-3,4-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-7-hydroxy-3,4-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
6-chloro-7-hydroxy-3,4-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0101 |
| Compound Name: | 6-chloro-7-hydroxy-3,4-dimethyl-8-[(4-methylpiperazin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 336.82 |
| Molecular Formula: | C17 H21 Cl N2 O3 |
| Smiles: | CC1=C(C)c2cc(c(c(CN3CCN(C)CC3)c2OC1=O)O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.9943 |
| logD: | 2.1954 |
| logSw: | -3.2931 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.533 |
| InChI Key: | JUJFKRVAWMOIQY-UHFFFAOYSA-N |