N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-0819 |
| Compound Name: | N-[3-(4-ethylpiperazin-1-yl)propyl]-3-(4-fluorophenyl)-2-(2-methoxyethyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 496.63 |
| Molecular Formula: | C28 H37 F N4 O3 |
| Smiles: | CCN1CCN(CCCNC(C2C(c3ccc(cc3)F)N(CCOC)C(c3ccccc23)=O)=O)CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0622 |
| logD: | 1.114 |
| logSw: | -2.7928 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.018 |
| InChI Key: | UBTJKYGRVODZEU-UHFFFAOYSA-N |