N-cyclohexyl-4-[2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
Chemical Structure Depiction of
N-cyclohexyl-4-[2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
N-cyclohexyl-4-[2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | C200-2020 |
| Compound Name: | N-cyclohexyl-4-[2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl]butanamide |
| Molecular Weight: | 505.7 |
| Molecular Formula: | C28 H31 N3 O2 S2 |
| Smiles: | Cc1ccccc1CSC1=Nc2c3ccccc3sc2C(N1CCCC(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1738 |
| logD: | 6.1738 |
| logSw: | -5.5416 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.441 |
| InChI Key: | BILYIZKMBRGZPP-UHFFFAOYSA-N |