N-[(3,4-dimethoxyphenyl)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-[(3,4-dimethoxyphenyl)methyl]-4-(8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
N-[(3,4-dimethoxyphenyl)methyl]-4-(8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Compound characteristics
| Compound ID: | C887-3148 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-4-(8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C21 H22 N4 O5 |
| Smiles: | COc1ccc(CNC(CCCN2C(c3cc4c(cco4)n3C=N2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 0.5105 |
| logD: | 0.5101 |
| logSw: | -1.9461 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.866 |
| InChI Key: | IOAFTKKADFHGQF-UHFFFAOYSA-N |