N-benzyl-4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Chemical Structure Depiction of
N-benzyl-4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
N-benzyl-4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Compound characteristics
| Compound ID: | C785-2639 |
| Compound Name: | N-benzyl-4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide |
| Molecular Weight: | 380.47 |
| Molecular Formula: | C20 H20 N4 O2 S |
| Smiles: | CC1=NN(CCCC(NCc2ccccc2)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1708 |
| logD: | 2.1694 |
| logSw: | -2.67 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.844 |
| InChI Key: | BWNAPXHDDNMHKY-UHFFFAOYSA-N |