N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]thieno[3,2-d]pyrimidin-3(4H)-yl}butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]thieno[3,2-d]pyrimidin-3(4H)-yl}butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]thieno[3,2-d]pyrimidin-3(4H)-yl}butanamide
Compound characteristics
| Compound ID: | K292-1323 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]thieno[3,2-d]pyrimidin-3(4H)-yl}butanamide |
| Molecular Weight: | 521.61 |
| Molecular Formula: | C26 H23 N3 O5 S2 |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(=Nc2ccsc2C1=O)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2114 |
| logD: | 3.2114 |
| logSw: | -3.5716 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.602 |
| InChI Key: | FMZSRILJFGAFKM-UHFFFAOYSA-N |