N-(5-chloro-2-methoxyphenyl)-2-cyclopentyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-cyclopentyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(5-chloro-2-methoxyphenyl)-2-cyclopentyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1039 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-cyclopentyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 481.01 |
| Molecular Formula: | C26 H25 Cl N2 O3 S |
| Smiles: | COc1ccc(cc1NC(C1C(c2cccs2)N(C2CCCC2)C(c2ccccc12)=O)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2577 |
| logD: | 5.1314 |
| logSw: | -5.6296 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.281 |
| InChI Key: | KQCIFCUPJDEIRY-UHFFFAOYSA-N |