N-(2-methoxyethyl)-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-(2-methoxyethyl)-4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide
N-(2-methoxyethyl)-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: | C604-0070 |
| Compound Name: | N-(2-methoxyethyl)-4-{2-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}butanamide |
| Molecular Weight: | 538.69 |
| Molecular Formula: | C27 H30 N4 O4 S2 |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3c4ccccc4sc3C(N2CCCC(NCCOC)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8659 |
| logD: | 2.8659 |
| logSw: | -3.1918 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.643 |
| InChI Key: | DWCLHDAGFUGXRD-UHFFFAOYSA-N |