4-{2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[(oxolan-2-yl)methyl]butanamide
Chemical Structure Depiction of
4-{2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[(oxolan-2-yl)methyl]butanamide
4-{2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[(oxolan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | C604-0171 |
| Compound Name: | 4-{2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}-N-[(oxolan-2-yl)methyl]butanamide |
| Molecular Weight: | 460.57 |
| Molecular Formula: | C21 H24 N4 O4 S2 |
| Smiles: | C(CC(NCC1CCCO1)=O)CN1C(=Nc2c3ccccc3sc2C1=O)SCC(N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7216 |
| logD: | 0.7216 |
| logSw: | -2.0268 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.029 |
| InChI Key: | UHHSURGDYOMLNR-CYBMUJFWSA-N |