4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Chemical Structure Depiction of
4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | C200-2878 |
| Compound Name: | 4-[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide |
| Molecular Weight: | 516.64 |
| Molecular Formula: | C23 H28 N6 O4 S2 |
| Smiles: | CC(C)CN1C(c2c(ccs2)n2c(CCCC(NCCc3ccc(cc3)S(N)(=O)=O)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0549 |
| logD: | 1.0542 |
| logSw: | -2.2638 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 115.912 |
| InChI Key: | SMBSBGQEODMZLC-UHFFFAOYSA-N |