N-[(3-bromophenyl)methyl]-4-(5-ethyl-2-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-4-(5-ethyl-2-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
N-[(3-bromophenyl)methyl]-4-(5-ethyl-2-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Compound characteristics
| Compound ID: | C784-3419 |
| Compound Name: | N-[(3-bromophenyl)methyl]-4-(5-ethyl-2-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide |
| Molecular Weight: | 471.35 |
| Molecular Formula: | C22 H23 Br N4 O3 |
| Smiles: | CCC1=NN(CCCC(NCc2cccc(c2)[Br])=O)C(c2cc3c(cc(C)o3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1813 |
| logD: | 3.1655 |
| logSw: | -3.2274 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.903 |
| InChI Key: | PJRNQQVPTGNROD-UHFFFAOYSA-N |