N-(cyclopropylmethyl)-2-{[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
Chemical Structure Depiction of
N-(cyclopropylmethyl)-2-{[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
N-(cyclopropylmethyl)-2-{[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide
Compound characteristics
| Compound ID: | V009-0539 |
| Compound Name: | N-(cyclopropylmethyl)-2-{[2-(2,2-dimethylpropanoyl)-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}butanamide |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C28 H35 F N2 O3 |
| Smiles: | CCC(C(NCC1CC1)=O)Oc1ccc2CCN(C(c3cccc(c3)F)c2c1)C(C(C)(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8067 |
| logD: | 5.8067 |
| logSw: | -5.5181 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.742 |
| InChI Key: | JJMHKAZOJXVZPW-UHFFFAOYSA-N |