N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxamide
N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y041-9518 |
| Compound Name: | N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 434.53 |
| Molecular Formula: | C26 H30 N2 O4 |
| Smiles: | CC(C)N1C=C(C(NCC2(CCOCC2)c2ccc(cc2)OC)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.3699 |
| logD: | 3.3698 |
| logSw: | -3.7325 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.144 |
| InChI Key: | MKXPYENHSLNINB-UHFFFAOYSA-N |