4-[2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-cyclohexylbutanamide
Chemical Structure Depiction of
4-[2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-cyclohexylbutanamide
4-[2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-cyclohexylbutanamide
Compound characteristics
| Compound ID: | C200-2028 |
| Compound Name: | 4-[2-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]-N-cyclohexylbutanamide |
| Molecular Weight: | 548.73 |
| Molecular Formula: | C29 H32 N4 O3 S2 |
| Smiles: | C1CCC(CC1)NC(CCCN1C(=Nc2c3ccccc3sc2C1=O)SCC(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4528 |
| logD: | 4.4528 |
| logSw: | -4.27 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.912 |
| InChI Key: | BTLGQPQCNJCUOE-UHFFFAOYSA-N |