N-cyclohexyl-4-[2-(methylsulfanyl)-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
Chemical Structure Depiction of
N-cyclohexyl-4-[2-(methylsulfanyl)-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
N-cyclohexyl-4-[2-(methylsulfanyl)-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | C200-2017 |
| Compound Name: | N-cyclohexyl-4-[2-(methylsulfanyl)-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide |
| Molecular Weight: | 415.58 |
| Molecular Formula: | C21 H25 N3 O2 S2 |
| Smiles: | CSC1=Nc2c3ccccc3sc2C(N1CCCC(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8459 |
| logD: | 3.8459 |
| logSw: | -3.8931 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.713 |
| InChI Key: | PTKYTTFHMHOWCF-UHFFFAOYSA-N |