N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1003 |
| Compound Name: | N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-2-(2-methylpropyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 533.73 |
| Molecular Formula: | C31 H39 N3 O3 S |
| Smiles: | CC(C)CN1C(C(C(NCCCN(Cc2ccco2)C2CCCC2)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9981 |
| logD: | 3.6388 |
| logSw: | -4.4443 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.137 |
| InChI Key: | NQXXNRNWPQCWOE-UHFFFAOYSA-N |