2-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
2-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | C785-3904 |
| Compound Name: | 2-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide |
| Molecular Weight: | 487.6 |
| Molecular Formula: | C22 H25 N5 O4 S2 |
| Smiles: | CCC1=NN(CC(NCCc2ccc(cc2)S(N)(=O)=O)=O)C(c2cc3c(cc(CC)s3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6785 |
| logD: | 1.6778 |
| logSw: | -2.6053 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.402 |
| InChI Key: | VLCZQHDQQMNVLE-UHFFFAOYSA-N |