8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-ethyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-ethyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-ethyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D355-0272 |
| Compound Name: | 8-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl}-3-ethyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 426.94 |
| Molecular Formula: | C24 H27 Cl N2 O3 |
| Smiles: | CCC1=C(C)c2ccc(c(CN3CCN(CC3)c3cc(ccc3C)[Cl])c2OC1=O)O |
| Stereo: | ACHIRAL |
| logP: | 5.4113 |
| logD: | 5.3096 |
| logSw: | -5.619 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.084 |
| InChI Key: | JFVRPPLYXUDBJP-UHFFFAOYSA-N |