N-(3-bromophenyl)-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-bromophenyl)-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
N-(3-bromophenyl)-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F798-0336 |
| Compound Name: | N-(3-bromophenyl)-2-{[4-(2-methylpropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetamide |
| Molecular Weight: | 492.41 |
| Molecular Formula: | C19 H18 Br N5 O2 S2 |
| Smiles: | CC(C)CN1C(c2c(ccs2)n2c1nnc2SCC(Nc1cccc(c1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5549 |
| logD: | 4.5548 |
| logSw: | -4.2588 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.751 |
| InChI Key: | AADDDIBVPCDKHL-UHFFFAOYSA-N |