N-(3-methoxyphenyl)-2-({4-oxo-3-[4-oxo-4-({3-[(propan-2-yl)oxy]propyl}amino)butyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-2-({4-oxo-3-[4-oxo-4-({3-[(propan-2-yl)oxy]propyl}amino)butyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanamide
N-(3-methoxyphenyl)-2-({4-oxo-3-[4-oxo-4-({3-[(propan-2-yl)oxy]propyl}amino)butyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanamide
Compound characteristics
| Compound ID: | C604-0142 |
| Compound Name: | N-(3-methoxyphenyl)-2-({4-oxo-3-[4-oxo-4-({3-[(propan-2-yl)oxy]propyl}amino)butyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)butanamide |
| Molecular Weight: | 610.8 |
| Molecular Formula: | C31 H38 N4 O5 S2 |
| Smiles: | CCC(C(Nc1cccc(c1)OC)=O)SC1=Nc2c3ccccc3sc2C(N1CCCC(NCCCOC(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.512 |
| logD: | 4.512 |
| logSw: | -4.2332 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.936 |
| InChI Key: | SOAOFOXNVIZPRM-DEOSSOPVSA-N |