5-[(2-chlorophenyl)methoxy]-2-{[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(2-chlorophenyl)methoxy]-2-{[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
5-[(2-chlorophenyl)methoxy]-2-{[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-0800 |
| Compound Name: | 5-[(2-chlorophenyl)methoxy]-2-{[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 497.03 |
| Molecular Formula: | C28 H33 Cl N2 O4 |
| Salt: | not_available |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)C(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7537 |
| logD: | 4.7517 |
| logSw: | -4.7702 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.373 |
| InChI Key: | NVPWAWSEUVDKGR-UHFFFAOYSA-N |