N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | E793-0536 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C23 H19 N3 O5 S2 |
| Smiles: | COc1ccc(cc1)N1C(=Nc2ccsc2C1=O)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.866 |
| logD: | 2.8659 |
| logSw: | -3.5802 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.694 |
| InChI Key: | UGGXPOCORPESOB-UHFFFAOYSA-N |