6-{3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-oxopropyl}-7-methoxy-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-{3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-oxopropyl}-7-methoxy-4-methyl-2H-1-benzopyran-2-one
6-{3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-oxopropyl}-7-methoxy-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y043-1981 |
| Compound Name: | 6-{3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-oxopropyl}-7-methoxy-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 455.94 |
| Molecular Formula: | C25 H26 Cl N O5 |
| Smiles: | CC1=CC(=O)Oc2cc(c(CCC(N3CCC(CC3)(c3ccc(cc3)[Cl])O)=O)cc12)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7271 |
| logD: | 3.7271 |
| logSw: | -4.3037 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.231 |
| InChI Key: | HQSITJOAINPHCC-UHFFFAOYSA-N |