N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-({2-[(5-methyl-1H-pyrazol-3-yl)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-[(5-methyl-1H-pyrazol-3-yl)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-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}sulfanyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | K292-1345 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[2-({2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}sulfanyl)-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide |
| Molecular Weight: | 540.62 |
| Molecular Formula: | C24 H24 N6 O5 S2 |
| Smiles: | Cc1cc(NC(CSC2=Nc3ccsc3C(N2CCCC(NCc2ccc3c(c2)OCO3)=O)=O)=O)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.1616 |
| logD: | 2.1597 |
| logSw: | -2.8924 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.639 |
| InChI Key: | SWHQFJZQQZKESU-UHFFFAOYSA-N |