2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-(4-phenylbutan-2-yl)propanamide
Chemical Structure Depiction of
2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-(4-phenylbutan-2-yl)propanamide
2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-(4-phenylbutan-2-yl)propanamide
Compound characteristics
| Compound ID: | C785-1276 |
| Compound Name: | 2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-(4-phenylbutan-2-yl)propanamide |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C22 H24 N4 O2 S |
| Smiles: | CC(CCc1ccccc1)NC(C(C)N1C(c2cc3c(ccs3)n2C(C)=N1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8622 |
| logD: | 3.8622 |
| logSw: | -3.9711 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.054 |
| InChI Key: | XYWYEBNGHBAOEE-UHFFFAOYSA-N |