N-[(3-chlorophenyl)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-[(3-chlorophenyl)methyl]-4-(5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
N-[(3-chlorophenyl)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: | C887-1207 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-4-(5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide |
| Molecular Weight: | 398.85 |
| Molecular Formula: | C20 H19 Cl N4 O3 |
| Smiles: | CC1=NN(CCCC(NCc2cccc(c2)[Cl])=O)C(c2cc3c(cco3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2439 |
| logD: | 2.2425 |
| logSw: | -3.3765 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.298 |
| InChI Key: | KGBLWAYLYSZWBI-UHFFFAOYSA-N |