N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1683 |
| Compound Name: | N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 499.61 |
| Molecular Formula: | C30 H33 N3 O4 |
| Smiles: | COc1ccc(cc1)N1C=C(C(NCCCN(Cc2ccco2)C2CCCC2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.6056 |
| logD: | 2.3017 |
| logSw: | -3.8703 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.494 |
| InChI Key: | XGYDOIKHHFCOKE-UHFFFAOYSA-N |