4-{2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}-N-{3-[(propan-2-yl)oxy]propyl}butanamide
Chemical Structure Depiction of
4-{2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}-N-{3-[(propan-2-yl)oxy]propyl}butanamide
4-{2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}-N-{3-[(propan-2-yl)oxy]propyl}butanamide
Compound characteristics
| Compound ID: | C604-0141 |
| Compound Name: | 4-{2-[(2-amino-2-oxoethyl)sulfanyl]-4-oxo[1]benzothieno[3,2-d]pyrimidin-3(4H)-yl}-N-{3-[(propan-2-yl)oxy]propyl}butanamide |
| Molecular Weight: | 476.62 |
| Molecular Formula: | C22 H28 N4 O4 S2 |
| Smiles: | CC(C)OCCCNC(CCCN1C(=Nc2c3ccccc3sc2C1=O)SCC(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2736 |
| logD: | 1.2736 |
| logSw: | -2.2165 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.689 |
| InChI Key: | LUFSOLGTDAZZIU-UHFFFAOYSA-N |