N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2-[(2-{[(furan-2-yl)methyl]amino}-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-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide
Compound characteristics
| Compound ID: | K292-1336 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide |
| Molecular Weight: | 540.62 |
| Molecular Formula: | C25 H24 N4 O6 S2 |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)CN1C(=Nc2ccsc2C1=O)SCC(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6212 |
| logD: | 2.6212 |
| logSw: | -3.0497 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.575 |
| InChI Key: | IQSHORUMBUWQNZ-UHFFFAOYSA-N |