N-(3-{(butan-2-yl)[(furan-2-yl)methyl]amino}propyl)-2-cyclopentyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-{(butan-2-yl)[(furan-2-yl)methyl]amino}propyl)-2-cyclopentyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(3-{(butan-2-yl)[(furan-2-yl)methyl]amino}propyl)-2-cyclopentyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1351 |
| Compound Name: | N-(3-{(butan-2-yl)[(furan-2-yl)methyl]amino}propyl)-2-cyclopentyl-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: | CCC(C)N(CCCNC(C1C(c2cccs2)N(C2CCCC2)C(c2ccccc12)=O)=O)Cc1ccco1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9797 |
| logD: | 3.4573 |
| logSw: | -4.4411 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.443 |
| InChI Key: | ZMIQZIMIKPRVMV-UHFFFAOYSA-N |