N-[(3-bromophenyl)methyl]-4-(5-ethyl-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-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-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Compound characteristics
| Compound ID: | C794-0298 |
| Compound Name: | N-[(3-bromophenyl)methyl]-4-(5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide |
| Molecular Weight: | 457.33 |
| Molecular Formula: | C21 H21 Br N4 O3 |
| Smiles: | CCC1=NN(CCCC(NCc2cccc(c2)[Br])=O)C(c2cc3c(cco3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6361 |
| logD: | 2.6326 |
| logSw: | -2.7302 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.389 |
| InChI Key: | QRPUSDCOPZALJX-UHFFFAOYSA-N |