N-[(3-chlorophenyl)methyl]-2-(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-chlorophenyl)methyl]-2-(5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
N-[(3-chlorophenyl)methyl]-2-(5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Compound characteristics
| Compound ID: | C887-2050 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-2-(5-ethyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide |
| Molecular Weight: | 412.87 |
| Molecular Formula: | C21 H21 Cl N4 O3 |
| Smiles: | CCC(C(NCc1cccc(c1)[Cl])=O)N1C(c2cc3c(cco3)n2C(CC)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6732 |
| logD: | 3.6732 |
| logSw: | -3.7881 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.742 |
| InChI Key: | ZMDBJXJXIAFESU-HNNXBMFYSA-N |