N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2-[(cyanomethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2-[(cyanomethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2-[(cyanomethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide
Compound characteristics
| Compound ID: | K292-1325 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2-[(cyanomethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C20 H18 N4 O4 S2 |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(=Nc2ccsc2C1=O)SCC#N |
| Stereo: | ACHIRAL |
| logP: | 1.7777 |
| logD: | 1.7777 |
| logSw: | -2.4992 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.118 |
| InChI Key: | ZVVOWZJMHOFTLQ-UHFFFAOYSA-N |