N-[3-(azepan-1-yl)propyl]-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-[3-(azepan-1-yl)propyl]-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C154-0123 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 425.59 |
| Molecular Formula: | C24 H31 N3 O2 S |
| Smiles: | CN1C(C(C(NCCCN2CCCCCC2)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7253 |
| logD: | 0.0967 |
| logSw: | -3.3224 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.275 |
| InChI Key: | RUVHVXDLPJDDCY-UHFFFAOYSA-N |