N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-{[2-(3-nitrophenyl)-2-oxoethyl]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-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | K292-1319 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide |
| Molecular Weight: | 566.61 |
| Molecular Formula: | C26 H22 N4 O7 S2 |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(=Nc2ccsc2C1=O)SCC(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4974 |
| logD: | 3.4974 |
| logSw: | -3.9396 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.983 |
| InChI Key: | MELRMJSCCGJKCZ-UHFFFAOYSA-N |