3-ethyl-7-hydroxy-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-ethyl-7-hydroxy-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-methyl-2H-1-benzopyran-2-one
3-ethyl-7-hydroxy-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D355-0287 |
| Compound Name: | 3-ethyl-7-hydroxy-8-{[4-(4-methoxyphenyl)piperazin-1-yl]methyl}-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 408.5 |
| Molecular Formula: | C24 H28 N2 O4 |
| Smiles: | CCC1=C(C)c2ccc(c(CN3CCN(CC3)c3ccc(cc3)OC)c2OC1=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.2326 |
| logD: | 4.2076 |
| logSw: | -3.8753 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.929 |
| InChI Key: | DHKDBAMRIWJWBX-UHFFFAOYSA-N |