ethyl 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
ethyl 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C242-1125 |
| Compound Name: | ethyl 2-{2-[3-(2H-1,3-benzodioxol-5-yl)-5,6-dimethyl-2,4-dioxo-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 521.55 |
| Molecular Formula: | C26 H23 N3 O7 S |
| Smiles: | CCOC(c1ccccc1NC(CN1C(N(C(c2c(C)c(C)sc12)=O)c1ccc2c(c1)OCO2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.229 |
| logD: | 4.2206 |
| logSw: | -4.3213 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.428 |
| InChI Key: | ZHXSINGISTWYIQ-UHFFFAOYSA-N |