methyl (5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetate
Chemical Structure Depiction of
methyl (5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetate
methyl (5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetate
Compound characteristics
| Compound ID: | C794-0261 |
| Compound Name: | methyl (5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetate |
| Molecular Weight: | 305.35 |
| Molecular Formula: | C14 H15 N3 O3 S |
| Smiles: | CCC1=NN(CC(=O)OC)C(c2cc3c(cc(C)s3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.113 |
| logD: | 2.1122 |
| logSw: | -2.2007 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.336 |
| InChI Key: | RUNUJCRFLYKIDL-UHFFFAOYSA-N |