N-{3-[benzyl(propan-2-yl)amino]propyl}-2-(5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Chemical Structure Depiction of
N-{3-[benzyl(propan-2-yl)amino]propyl}-2-(5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-{3-[benzyl(propan-2-yl)amino]propyl}-2-(5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Compound characteristics
| Compound ID: | C785-3089 |
| Compound Name: | N-{3-[benzyl(propan-2-yl)amino]propyl}-2-(5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 479.64 |
| Molecular Formula: | C26 H33 N5 O2 S |
| Smiles: | CCC1=NN(CC(NCCCN(Cc2ccccc2)C(C)C)=O)C(c2cc3c(cc(C)s3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8311 |
| logD: | 1.8273 |
| logSw: | -3.818 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.396 |
| InChI Key: | CRGBAHWHGNBJLD-UHFFFAOYSA-N |