6-methoxy-4-{[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-methoxy-4-{[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
6-methoxy-4-{[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D222-0096 |
| Compound Name: | 6-methoxy-4-{[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 436.55 |
| Molecular Formula: | C26 H32 N2 O4 |
| Smiles: | COc1ccc2c(c1)C(CN1CCN(CC1)C(C13CC4CC(CC(C4)C3)C1)=O)=CC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.005 |
| logD: | 4.0013 |
| logSw: | -4.3502 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.412 |
| InChI Key: | GCUUEBLNCNUUCJ-UHFFFAOYSA-N |