N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Chemical Structure Depiction of
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Compound characteristics
| Compound ID: | C785-1894 |
| Compound Name: | N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 451.59 |
| Molecular Formula: | C24 H29 N5 O2 S |
| Smiles: | CCC1=NN(CC(NCCCN(CC)c2cccc(C)c2)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.622 |
| logD: | 3.5897 |
| logSw: | -3.6392 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.789 |
| InChI Key: | BRWIWRHSWMEIAP-UHFFFAOYSA-N |