2-tert-butyl-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-1-benzopyran-7-yl 2,2-dimethylpropanoate
Chemical Structure Depiction of
2-tert-butyl-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-1-benzopyran-7-yl 2,2-dimethylpropanoate
2-tert-butyl-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-1-benzopyran-7-yl 2,2-dimethylpropanoate
Compound characteristics
| Compound ID: | 4356-0595 |
| Compound Name: | 2-tert-butyl-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-1-benzopyran-7-yl 2,2-dimethylpropanoate |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C26 H28 N2 O4 |
| Smiles: | CC(C)(C)C1=C(C(c2ccc(cc2O1)OC(C(C)(C)C)=O)=O)c1nc2ccccc2n1C |
| Stereo: | ACHIRAL |
| logP: | 5.7045 |
| logD: | 5.7045 |
| logSw: | -5.5438 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.937 |
| InChI Key: | NXSJAUZGINZULY-UHFFFAOYSA-N |