2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-[(3,4,5-triethoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-[(3,4,5-triethoxyphenyl)methyl]acetamide
2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-[(3,4,5-triethoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C795-0781 |
| Compound Name: | 2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-[(3,4,5-triethoxyphenyl)methyl]acetamide |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C25 H30 N4 O5 S |
| Smiles: | CCC1=NN(CC(NCc2cc(c(c(c2)OCC)OCC)OCC)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3724 |
| logD: | 3.3724 |
| logSw: | -3.6466 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.675 |
| InChI Key: | KMPZTVLVNCSYDP-UHFFFAOYSA-N |