2-(5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide
Chemical Structure Depiction of
2-(5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide
2-(5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide
Compound characteristics
| Compound ID: | C785-3055 |
| Compound Name: | 2-(5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-{3-[ethyl(3-methylphenyl)amino]propyl}acetamide |
| Molecular Weight: | 465.62 |
| Molecular Formula: | C25 H31 N5 O2 S |
| Smiles: | CCC1=NN(CC(NCCCN(CC)c2cccc(C)c2)=O)C(c2cc3c(cc(C)s3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2123 |
| logD: | 4.18 |
| logSw: | -4.0786 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.789 |
| InChI Key: | VVNUGELVIIVYMB-UHFFFAOYSA-N |