N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C280-0608 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 469.54 |
| Molecular Formula: | C22 H19 N3 O5 S2 |
| Smiles: | COc1ccc(cc1)N1C(=NC2CCSC=2C1=O)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.854 |
| logD: | 2.854 |
| logSw: | -3.5551 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.305 |
| InChI Key: | GTSKGYHYAQRNIJ-UHFFFAOYSA-N |