N-{[1-(2-methoxyethyl)-1H-benzimidazol-2-yl]methyl}-1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{[1-(2-methoxyethyl)-1H-benzimidazol-2-yl]methyl}-1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxamide
N-{[1-(2-methoxyethyl)-1H-benzimidazol-2-yl]methyl}-1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-7372 |
| Compound Name: | N-{[1-(2-methoxyethyl)-1H-benzimidazol-2-yl]methyl}-1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C24 H26 N4 O3 |
| Smiles: | CC(C)N1C=C(C(NCc2nc3ccccc3n2CCOC)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.541 |
| logD: | 2.532 |
| logSw: | -2.9325 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.269 |
| InChI Key: | MDEYDMFMCIBPGH-UHFFFAOYSA-N |