4-[4-oxo-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Chemical Structure Depiction of
4-[4-oxo-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
4-[4-oxo-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K292-2061 |
| Compound Name: | 4-[4-oxo-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)thieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide |
| Molecular Weight: | 627.8 |
| Molecular Formula: | C29 H33 N5 O5 S3 |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1=Nc2ccsc2C(N1CCCC(NCCc1ccc(cc1)S(N)(=O)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7496 |
| logD: | 2.7489 |
| logSw: | -3.5397 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 124.833 |
| InChI Key: | YCSBVGNZSMEVQH-UHFFFAOYSA-N |