4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-(2-phenylethyl)butanamide
Chemical Structure Depiction of
4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-(2-phenylethyl)butanamide
4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-(2-phenylethyl)butanamide
Compound characteristics
| Compound ID: | C785-2694 |
| Compound Name: | 4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-(2-phenylethyl)butanamide |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C21 H22 N4 O2 S |
| Smiles: | CC1=NN(CCCC(NCCc2ccccc2)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9455 |
| logD: | 1.9441 |
| logSw: | -2.5772 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.686 |
| InChI Key: | BRPNUBVEQVETLG-UHFFFAOYSA-N |