N-[(4-methylphenyl)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-[(4-methylphenyl)methyl]-4-(8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
N-[(4-methylphenyl)methyl]-4-(8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Compound characteristics
| Compound ID: | C887-2970 |
| Compound Name: | N-[(4-methylphenyl)methyl]-4-(8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide |
| Molecular Weight: | 364.4 |
| Molecular Formula: | C20 H20 N4 O3 |
| Smiles: | Cc1ccc(CNC(CCCN2C(c3cc4c(cco4)n3C=N2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.319 |
| logD: | 1.3186 |
| logSw: | -2.0627 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.605 |
| InChI Key: | LFFCVKIRGJIFNF-UHFFFAOYSA-N |