2-{[2-(cyclopentanecarbonyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(pyrrolidin-1-yl)butan-1-one
Chemical Structure Depiction of
2-{[2-(cyclopentanecarbonyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(pyrrolidin-1-yl)butan-1-one
2-{[2-(cyclopentanecarbonyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(pyrrolidin-1-yl)butan-1-one
Compound characteristics
| Compound ID: | V005-0889 |
| Compound Name: | 2-{[2-(cyclopentanecarbonyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-(pyrrolidin-1-yl)butan-1-one |
| Molecular Weight: | 478.61 |
| Molecular Formula: | C29 H35 F N2 O3 |
| Smiles: | CCC(C(N1CCCC1)=O)Oc1ccc2CCN(C(c3ccc(cc3)F)c2c1)C(C1CCCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8955 |
| logD: | 5.8955 |
| logSw: | -5.453 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.106 |
| InChI Key: | NSLYPBWMVVCNDX-UHFFFAOYSA-N |