N-(3-methoxyphenyl)-2-{[4-oxo-3-(4-oxo-4-{[(oxolan-2-yl)methyl]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-{[(oxolan-2-yl)methyl]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-{[(oxolan-2-yl)methyl]amino}butyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | C604-0172 |
| Compound Name: | N-(3-methoxyphenyl)-2-{[4-oxo-3-(4-oxo-4-{[(oxolan-2-yl)methyl]amino}butyl)-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}butanamide |
| Molecular Weight: | 594.75 |
| Molecular Formula: | C30 H34 N4 O5 S2 |
| Smiles: | CCC(C(Nc1cccc(c1)OC)=O)SC1=Nc2c3ccccc3sc2C(N1CCCC(NCC1CCCO1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.96 |
| logD: | 3.96 |
| logSw: | -4.087 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.276 |
| InChI Key: | YPCHXKMLZWILNB-UHFFFAOYSA-N |