methyl 2-{2-[3-(4-methylphenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[3-(4-methylphenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetamido}benzoate
methyl 2-{2-[3-(4-methylphenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C241-1182 |
| Compound Name: | methyl 2-{2-[3-(4-methylphenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 449.48 |
| Molecular Formula: | C23 H19 N3 O5 S |
| Smiles: | Cc1ccc(cc1)N1C(c2c(ccs2)N(CC(Nc2ccccc2C(=O)OC)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4641 |
| logD: | 3.4534 |
| logSw: | -3.8251 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.299 |
| InChI Key: | XHHAWDUDKFBDGM-UHFFFAOYSA-N |