7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-4H-1-benzopyran-4-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 3232-0312 |
| Compound Name: | 7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-4H-1-benzopyran-4-one--hydrogen chloride (1/1) |
| Molecular Weight: | 386.88 |
| Molecular Formula: | C21 H22 N2 O3 |
| Salt: | HCl |
| Smiles: | CN1CCN(CC1)Cc1c(ccc2C(C(=COc12)c1ccccc1)=O)O |
| Stereo: | ACHIRAL |
| logP: | 2.3181 |
| logD: | 1.5191 |
| logSw: | -2.9264 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.302 |
| InChI Key: | VSMLQNUBARVEKK-UHFFFAOYSA-N |