2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
Chemical Structure Depiction of
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | E793-2472 |
| Compound Name: | 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-[2-(4-chlorophenyl)ethyl]acetamide |
| Molecular Weight: | 514.02 |
| Molecular Formula: | C24 H20 Cl N3 O4 S2 |
| Smiles: | C(CNC(CSC1=Nc2ccsc2C(N1Cc1ccc2c(c1)OCO2)=O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3086 |
| logD: | 4.3086 |
| logSw: | -4.6313 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.218 |
| InChI Key: | JYDBRQMDVXSDNL-UHFFFAOYSA-N |