2-{[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
2-{[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V009-7856 |
| Compound Name: | 2-{[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-1,4-diazepan-1-yl]methyl}-5-{[4-(trifluoromethyl)phenyl]methoxy}-4H-pyran-4-one |
| Molecular Weight: | 544.61 |
| Molecular Formula: | C30 H35 F3 N2 O4 |
| Salt: | not_available |
| Smiles: | [H][C@]12CC3(C[C@]([H])(C1)C[C@@]([H])(C3)C2)C(N1CCCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4257 |
| logD: | 5.3941 |
| logSw: | -5.829 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.704 |
| InChI Key: | JBLJSQDXQWVULO-UHFFFAOYSA-N |