N-[(5-bromo-2-methoxyphenyl)methyl]-2-(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-[(5-bromo-2-methoxyphenyl)methyl]-2-(5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Compound characteristics
| Compound ID: | C794-0241 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-2-(5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide |
| Molecular Weight: | 473.32 |
| Molecular Formula: | C21 H21 Br N4 O4 |
| Smiles: | CCC(C(NCc1cc(ccc1OC)[Br])=O)N1C(c2cc3c(cco3)n2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5325 |
| logD: | 3.5325 |
| logSw: | -3.5867 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.281 |
| InChI Key: | YYGVYWADOWELIE-HNNXBMFYSA-N |