N-(1H-benzimidazol-2-yl)-1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(1H-benzimidazol-2-yl)-1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxamide
N-(1H-benzimidazol-2-yl)-1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-5269 |
| Compound Name: | N-(1H-benzimidazol-2-yl)-1-oxo-2-(propan-2-yl)-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 346.39 |
| Molecular Formula: | C20 H18 N4 O2 |
| Smiles: | CC(C)N1C=C(C(Nc2nc3ccccc3[nH]2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.229 |
| logD: | 2.2029 |
| logSw: | -3.0226 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.875 |
| InChI Key: | MMKIUSQECSDKPJ-UHFFFAOYSA-N |