methyl [4-oxo-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]acetate
Chemical Structure Depiction of
methyl [4-oxo-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]acetate
methyl [4-oxo-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]acetate
Compound characteristics
| Compound ID: | K292-2105 |
| Compound Name: | methyl [4-oxo-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]acetate |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C20 H21 N3 O4 S2 |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1=Nc2ccsc2C(N1CC(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6218 |
| logD: | 3.6218 |
| logSw: | -3.8241 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.789 |
| InChI Key: | BDNKVHGATZVJMZ-UHFFFAOYSA-N |