N-[(5-bromo-2-methoxyphenyl)methyl]-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-[(5-bromo-2-methoxyphenyl)methyl]-4-(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]-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: | C794-0432 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-4-(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: | CC1=NN(CCCC(NCc2cc(ccc2OC)[Br])=O)C(c2cc3c(cco3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4399 |
| logD: | 2.4385 |
| logSw: | -2.8392 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.928 |
| InChI Key: | XMRZEIGXYCELOI-UHFFFAOYSA-N |