N-cyclopentyl-4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide
Chemical Structure Depiction of
N-cyclopentyl-4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide
N-cyclopentyl-4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide
Compound characteristics
| Compound ID: | C604-0040 |
| Compound Name: | N-cyclopentyl-4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide |
| Molecular Weight: | 548.73 |
| Molecular Formula: | C29 H32 N4 O3 S2 |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3c4ccccc4sc3C(N2CCCC(NC2CCCC2)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4209 |
| logD: | 4.4209 |
| logSw: | -4.1536 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.278 |
| InChI Key: | UNBCXGLYZNVSNX-UHFFFAOYSA-N |