N-{[1-(propan-2-yl)-1H-benzimidazol-5-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{[1-(propan-2-yl)-1H-benzimidazol-5-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
N-{[1-(propan-2-yl)-1H-benzimidazol-5-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | M414-0475 |
| Compound Name: | N-{[1-(propan-2-yl)-1H-benzimidazol-5-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 337.38 |
| Molecular Formula: | C19 H19 N3 O3 |
| Smiles: | CC(C)n1cnc2cc(CNC(c3ccc4c(c3)OCO4)=O)ccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.8559 |
| logD: | 2.8558 |
| logSw: | -3.3303 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.015 |
| InChI Key: | XGBJKFBQQJOHPP-UHFFFAOYSA-N |