4-[2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-cyclohexylbutanamide
Chemical Structure Depiction of
4-[2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-cyclohexylbutanamide
4-[2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-cyclohexylbutanamide
Compound characteristics
| Compound ID: | C200-2007 |
| Compound Name: | 4-[2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-cyclohexylbutanamide |
| Molecular Weight: | 598.58 |
| Molecular Formula: | C28 H28 Br N3 O3 S2 |
| Smiles: | C1CCC(CC1)NC(CCCN1C(=Nc2c3ccccc3sc2C1=O)SCC(c1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7326 |
| logD: | 5.7326 |
| logSw: | -6.0379 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.688 |
| InChI Key: | OBLWYWUJJSIYJR-UHFFFAOYSA-N |