N-(3-{(2,3-dimethylcyclohexyl)[(furan-2-yl)methyl]amino}propyl)-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-{(2,3-dimethylcyclohexyl)[(furan-2-yl)methyl]amino}propyl)-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-(3-{(2,3-dimethylcyclohexyl)[(furan-2-yl)methyl]amino}propyl)-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1689 |
| Compound Name: | N-(3-{(2,3-dimethylcyclohexyl)[(furan-2-yl)methyl]amino}propyl)-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 541.69 |
| Molecular Formula: | C33 H39 N3 O4 |
| Smiles: | CC1CCCC(C1C)N(CCCNC(C1=CN(C(c2ccccc12)=O)c1ccc(cc1)OC)=O)Cc1ccco1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1089 |
| logD: | 3.0842 |
| logSw: | -4.2106 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.594 |
| InChI Key: | HWHJDXUHNMMLSZ-UHFFFAOYSA-N |