6-chloro-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-phenyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-phenyl-2H-1-benzopyran-2-one
6-chloro-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-phenyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0064 |
| Compound Name: | 6-chloro-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-phenyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 384.86 |
| Molecular Formula: | C21 H21 Cl N2 O3 |
| Smiles: | CN1CCN(CC1)Cc1c(c(cc2C(=CC(=O)Oc12)c1ccccc1)[Cl])O |
| Stereo: | ACHIRAL |
| logP: | 3.48 |
| logD: | 2.6811 |
| logSw: | -3.9912 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.747 |
| InChI Key: | XFBSPFIQPJJIEQ-UHFFFAOYSA-N |