4-[2-{[2-(3-methylanilino)-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-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]butanamide
4-[2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | C604-0159 |
| Compound Name: | 4-[2-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]butanamide |
| Molecular Weight: | 550.7 |
| Molecular Formula: | C28 H30 N4 O4 S2 |
| Smiles: | Cc1cccc(c1)NC(CSC1=Nc2c3ccccc3sc2C(N1CCCC(NCC1CCCO1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2427 |
| logD: | 3.2427 |
| logSw: | -3.4174 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.519 |
| InChI Key: | ZUBQBHCOGHZLHB-HXUWFJFHSA-N |