2-cyclopentyl-N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-cyclopentyl-N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
2-cyclopentyl-N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1346 |
| Compound Name: | 2-cyclopentyl-N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 531.72 |
| Molecular Formula: | C31 H37 N3 O3 S |
| Smiles: | C1CCC(C1)N(CCNC(C1C(c2cccs2)N(C2CCCC2)C(c2ccccc12)=O)=O)Cc1ccco1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.667 |
| logD: | 4.003 |
| logSw: | -4.536 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.453 |
| InChI Key: | HPUUZLKCBMJUKJ-UHFFFAOYSA-N |