N-{2-[butyl(ethyl)amino]ethyl}-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{2-[butyl(ethyl)amino]ethyl}-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-{2-[butyl(ethyl)amino]ethyl}-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-1507 |
| Compound Name: | N-{2-[butyl(ethyl)amino]ethyl}-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 531.67 |
| Molecular Formula: | C32 H38 F N3 O3 |
| Smiles: | CCCCN(CC)CCNC(C1C(c2ccc(cc2)OC)N(Cc2ccc(cc2)F)C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0534 |
| logD: | 3.0809 |
| logSw: | -4.4392 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.386 |
| InChI Key: | CBKPNMDLZXYGLC-UHFFFAOYSA-N |