N-[3-(azepan-1-yl)propyl]-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[3-(azepan-1-yl)propyl]-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-1503 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 543.68 |
| Molecular Formula: | C33 H38 F N3 O3 |
| Smiles: | COc1ccc(cc1)C1C(C(NCCCN2CCCCCC2)=O)c2ccccc2C(N1Cc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8154 |
| logD: | 2.1868 |
| logSw: | -4.4232 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.763 |
| InChI Key: | XAWWKJZIFXZXII-UHFFFAOYSA-N |