N-[(2-bromophenyl)methyl]-4-(8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Chemical Structure Depiction of
N-[(2-bromophenyl)methyl]-4-(8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
N-[(2-bromophenyl)methyl]-4-(8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Compound characteristics
| Compound ID: | C887-3150 |
| Compound Name: | N-[(2-bromophenyl)methyl]-4-(8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide |
| Molecular Weight: | 429.27 |
| Molecular Formula: | C19 H17 Br N4 O3 |
| Smiles: | C(CC(NCc1ccccc1[Br])=O)CN1C(c2cc3c(cco3)n2C=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7677 |
| logD: | 1.7672 |
| logSw: | -2.2368 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.605 |
| InChI Key: | IEMALBUSTAPERW-UHFFFAOYSA-N |