4-methyl-2-oxo-2H-1-benzopyran-6-yl [(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
4-methyl-2-oxo-2H-1-benzopyran-6-yl [(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetate
4-methyl-2-oxo-2H-1-benzopyran-6-yl [(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 2735-0018 |
| Compound Name: | 4-methyl-2-oxo-2H-1-benzopyran-6-yl [(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 356.4 |
| Molecular Formula: | C18 H16 N2 O4 S |
| Smiles: | CC1=CC(=O)Oc2ccc(cc12)OC(CSc1nc(C)cc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6722 |
| logD: | 2.6722 |
| logSw: | -3.2333 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.335 |
| InChI Key: | DVDFPBKLCUTCKX-UHFFFAOYSA-N |