N-[2-(azepan-1-yl)ethyl]-4-(5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-4-(5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
N-[2-(azepan-1-yl)ethyl]-4-(5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Compound characteristics
| Compound ID: | C887-1376 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-4-(5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C21 H29 N5 O3 |
| Smiles: | CC1=NN(CCCC(NCCN2CCCCCC2)=O)C(c2cc3c(cco3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0629 |
| logD: | -0.6358 |
| logSw: | -1.946 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.453 |
| InChI Key: | KENWEBHYZHDCCQ-UHFFFAOYSA-N |