N-(cyclopropylmethyl)-2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide
Chemical Structure Depiction of
N-(cyclopropylmethyl)-2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide
N-(cyclopropylmethyl)-2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide
Compound characteristics
| Compound ID: | V004-3730 |
| Compound Name: | N-(cyclopropylmethyl)-2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}propanamide |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C27 H33 F N2 O3 |
| Smiles: | CC(C)CC(N1CCc2ccc(cc2C1c1cccc(c1)F)OC(C)C(NCC1CC1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2538 |
| logD: | 5.2538 |
| logSw: | -5.1189 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.331 |
| InChI Key: | PKOCXJFCUKFQRO-UHFFFAOYSA-N |