4-[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Chemical Structure Depiction of
4-[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
4-[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K292-2057 |
| Compound Name: | 4-[2-{[(7-bromo-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-oxothieno[3,2-d]pyrimidin-3(4H)-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide |
| Molecular Weight: | 689.63 |
| Molecular Formula: | C27 H25 Br N6 O5 S3 |
| Smiles: | C(CC(NCCc1ccc(cc1)S(N)(=O)=O)=O)CN1C(=Nc2ccsc2C1=O)SCC1=CC(N2C=C(C=CC2=N1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 0.8415 |
| logD: | 0.8407 |
| logSw: | -2.1879 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 128.189 |
| InChI Key: | RULGEENNDORXOO-UHFFFAOYSA-N |