4-methyl-2-oxo-2H-1-benzopyran-7-yl [(4-benzyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate
Chemical Structure Depiction of
4-methyl-2-oxo-2H-1-benzopyran-7-yl [(4-benzyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate
4-methyl-2-oxo-2H-1-benzopyran-7-yl [(4-benzyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8006-2469 |
| Compound Name: | 4-methyl-2-oxo-2H-1-benzopyran-7-yl [(4-benzyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetate |
| Molecular Weight: | 434.47 |
| Molecular Formula: | C23 H18 N2 O5 S |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)OC(CSC1NC(C=C(Cc2ccccc2)N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0167 |
| logD: | 2.5891 |
| logSw: | -3.6454 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.097 |
| InChI Key: | LHQDEPKMOZBCQL-UHFFFAOYSA-N |