3-[4-oxo-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid
Chemical Structure Depiction of
3-[4-oxo-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid
3-[4-oxo-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid
Compound characteristics
| Compound ID: | K292-1940 |
| Compound Name: | 3-[4-oxo-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]propanoic acid |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C20 H21 N3 O4 S2 |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1=Nc2ccsc2C(N1CCC(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9755 |
| logD: | 0.4429 |
| logSw: | -3.4938 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.573 |
| InChI Key: | LYPZQWDBYBCLNO-UHFFFAOYSA-N |