4-[2-{[(2-methylphenyl)methyl]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-methylphenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]butanamide
4-[2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | C604-0169 |
| Compound Name: | 4-[2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[(oxolan-2-yl)methyl]butanamide |
| Molecular Weight: | 507.67 |
| Molecular Formula: | C27 H29 N3 O3 S2 |
| Smiles: | Cc1ccccc1CSC1=Nc2c3ccccc3sc2C(N1CCCC(NCC1CCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2849 |
| logD: | 4.2849 |
| logSw: | -4.0944 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.37 |
| InChI Key: | ZGZBMRYVDBVXGG-HXUWFJFHSA-N |