N-{2-[ethyl(phenyl)amino]ethyl}-4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Chemical Structure Depiction of
N-{2-[ethyl(phenyl)amino]ethyl}-4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
N-{2-[ethyl(phenyl)amino]ethyl}-4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide
Compound characteristics
Compound ID: | C785-2801 |
Compound Name: | N-{2-[ethyl(phenyl)amino]ethyl}-4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanamide |
Molecular Weight: | 437.56 |
Molecular Formula: | C23 H27 N5 O2 S |
Smiles: | CCN(CCNC(CCCN1C(c2cc3c(ccs3)n2C(C)=N1)=O)=O)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 2.4087 |
logD: | 2.4052 |
logSw: | -2.8312 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 57.676 |
InChI Key: | KFZZPXKOKODQDZ-UHFFFAOYSA-N |