N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({3-[(4-methylphenyl)methyl]-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-methylphenyl)methyl]-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-methylphenyl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | E793-0398 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({3-[(4-methylphenyl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C24 H21 N3 O4 S2 |
| Smiles: | Cc1ccc(CN2C(=Nc3ccsc3C2=O)SCC(Nc2ccc3c(c2)OCCO3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7826 |
| logD: | 3.7826 |
| logSw: | -3.8726 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.762 |
| InChI Key: | QOWRDLLKHKRRON-UHFFFAOYSA-N |