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)butanamide
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)butanamide
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)butanamide
Compound characteristics
| Compound ID: | C785-0997 |
| 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)butanamide |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C23 H26 N4 O2 S |
| Smiles: | CCC(C(NC(C)CCc1ccccc1)=O)N1C(c2cc3c(ccs3)n2C(C)=N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5387 |
| logD: | 4.5387 |
| logSw: | -4.3656 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.638 |
| InChI Key: | NZLVAWZLIUEFJV-UHFFFAOYSA-N |