N-{2-[cyclohexyl(methyl)amino]ethyl}-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-{2-[cyclohexyl(methyl)amino]ethyl}-2-(5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-{2-[cyclohexyl(methyl)amino]ethyl}-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: | C785-3082 |
| Compound Name: | N-{2-[cyclohexyl(methyl)amino]ethyl}-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: | 429.58 |
| Molecular Formula: | C22 H31 N5 O2 S |
| Smiles: | CCC1=NN(CC(NCCN(C)C2CCCCC2)=O)C(c2cc3c(cc(C)s3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9843 |
| logD: | 1.5432 |
| logSw: | -3.0553 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.837 |
| InChI Key: | OROYLFBIFCWAPC-UHFFFAOYSA-N |