N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-2-(2-methoxyethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-2-(2-methoxyethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-2-(2-methoxyethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-0666 |
| Compound Name: | N-(2-{cyclopentyl[(furan-2-yl)methyl]amino}ethyl)-2-(2-methoxyethyl)-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 521.68 |
| Molecular Formula: | C29 H35 N3 O4 S |
| Smiles: | COCCN1C(C(C(NCCN(Cc2ccco2)C2CCCC2)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4595 |
| logD: | 2.7955 |
| logSw: | -3.7349 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.458 |
| InChI Key: | IWUICKOJODGZGX-UHFFFAOYSA-N |