4-[2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-{3-[(propan-2-yl)oxy]propyl}butanamide
Chemical Structure Depiction of
4-[2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-{3-[(propan-2-yl)oxy]propyl}butanamide
4-[2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-{3-[(propan-2-yl)oxy]propyl}butanamide
Compound characteristics
| Compound ID: | C604-0126 |
| Compound Name: | 4-[2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-{3-[(propan-2-yl)oxy]propyl}butanamide |
| Molecular Weight: | 616.6 |
| Molecular Formula: | C28 H30 Br N3 O4 S2 |
| Smiles: | CC(C)OCCCNC(CCCN1C(=Nc2c3ccccc3sc2C1=O)SCC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3958 |
| logD: | 4.3958 |
| logSw: | -4.1921 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.277 |
| InChI Key: | FMQCMKMCTICBSK-UHFFFAOYSA-N |