2-{[2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-ethylbutanamide
Chemical Structure Depiction of
2-{[2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-ethylbutanamide
2-{[2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-ethylbutanamide
Compound characteristics
| Compound ID: | V022-8422 |
| Compound Name: | 2-{[2-(cyclopropanecarbonyl)-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-ethylbutanamide |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C26 H32 N2 O3 |
| Smiles: | CCC(C(NCC)=O)Oc1ccc2CCN(C(c3ccc(C)cc3)c2c1)C(C1CC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8932 |
| logD: | 4.8932 |
| logSw: | -4.5733 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.367 |
| InChI Key: | DFHNYOVRWTUGPV-UHFFFAOYSA-N |