2-tert-butyl-6-ethyl-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-1-benzopyran-7-yl 2,2-dimethylpropanoate
Chemical Structure Depiction of
2-tert-butyl-6-ethyl-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-1-benzopyran-7-yl 2,2-dimethylpropanoate
2-tert-butyl-6-ethyl-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-1-benzopyran-7-yl 2,2-dimethylpropanoate
Compound characteristics
| Compound ID: | 4356-0368 |
| Compound Name: | 2-tert-butyl-6-ethyl-3-(1-methyl-1H-benzimidazol-2-yl)-4-oxo-4H-1-benzopyran-7-yl 2,2-dimethylpropanoate |
| Molecular Weight: | 460.57 |
| Molecular Formula: | C28 H32 N2 O4 |
| Smiles: | CCc1cc2C(C(=C(C(C)(C)C)Oc2cc1OC(C(C)(C)C)=O)c1nc2ccccc2n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8186 |
| logD: | 6.8186 |
| logSw: | -5.6896 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.024 |
| InChI Key: | JPXQBDMZYMNWRP-UHFFFAOYSA-N |