2-[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
Chemical Structure Depiction of
2-[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
2-[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | Y042-7000 |
| Compound Name: | 2-[(5-hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-N-[(1S)-1-(1-methyl-1H-benzimidazol-2-yl)ethyl]acetamide |
| Molecular Weight: | 423.47 |
| Molecular Formula: | C23 H25 N3 O5 |
| Smiles: | C[C@@H](c1nc2ccccc2n1C)NC(COc1cc(c2C(C[C@@](C)(C)Oc2c1)=O)O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.733 |
| logD: | 2.7206 |
| logSw: | -3.2781 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.24 |
| InChI Key: | MMJCLTCRLDYVNP-ZDUSSCGKSA-N |