N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(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-[ethyl(3-methylphenyl)amino]propyl}-2-(5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Compound characteristics
| Compound ID: | C887-1930 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(5-methyl-8-oxofuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C25 H31 N5 O3 |
| Smiles: | CCC(C(NCCCN(CC)c1cccc(C)c1)=O)N1C(c2cc3c(cco3)n2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.028 |
| logD: | 3.9957 |
| logSw: | -3.8811 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.482 |
| InChI Key: | TWVTUOVDUUMNNR-FQEVSTJZSA-N |