2-{[2-(cyclopentanecarbonyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[2-(pyrrolidin-1-yl)ethyl]butanamide
Chemical Structure Depiction of
2-{[2-(cyclopentanecarbonyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[2-(pyrrolidin-1-yl)ethyl]butanamide
2-{[2-(cyclopentanecarbonyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[2-(pyrrolidin-1-yl)ethyl]butanamide
Compound characteristics
| Compound ID: | V005-0876 |
| Compound Name: | 2-{[2-(cyclopentanecarbonyl)-1-(4-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[2-(pyrrolidin-1-yl)ethyl]butanamide |
| Molecular Weight: | 521.68 |
| Molecular Formula: | C31 H40 F N3 O3 |
| Smiles: | CCC(C(NCCN1CCCC1)=O)Oc1ccc2CCN(C(c3ccc(cc3)F)c2c1)C(C1CCCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3372 |
| logD: | 3.0625 |
| logSw: | -5.2063 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.695 |
| InChI Key: | RAHLMGWUHXXMPE-UHFFFAOYSA-N |