benzyl [3-(3,5-dimethylphenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetate
Chemical Structure Depiction of
benzyl [3-(3,5-dimethylphenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetate
benzyl [3-(3,5-dimethylphenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetate
Compound characteristics
| Compound ID: | C241-1196 |
| Compound Name: | benzyl [3-(3,5-dimethylphenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetate |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C23 H20 N2 O4 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(c2c(ccs2)N(CC(=O)OCc2ccccc2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6467 |
| logD: | 4.6467 |
| logSw: | -4.6603 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.208 |
| InChI Key: | UMGUJJKVIIVDQS-UHFFFAOYSA-N |