2-({3-[2-(4-chlorophenyl)ethyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-({3-[2-(4-chlorophenyl)ethyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-({3-[2-(4-chlorophenyl)ethyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | E793-3986 |
| Compound Name: | 2-({3-[2-(4-chlorophenyl)ethyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 514.02 |
| Molecular Formula: | C24 H20 Cl N3 O4 S2 |
| Smiles: | C(CN1C(=Nc2ccsc2C1=O)SCC(Nc1ccc2c(c1)OCCO2)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.0531 |
| logD: | 4.053 |
| logSw: | -4.5074 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.74 |
| InChI Key: | KKXSPJGHANUTMJ-UHFFFAOYSA-N |