N-[3-(cyclohexylsulfanyl)propyl]-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Chemical Structure Depiction of
N-[3-(cyclohexylsulfanyl)propyl]-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-[3-(cyclohexylsulfanyl)propyl]-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Compound characteristics
| Compound ID: | C785-1936 |
| Compound Name: | N-[3-(cyclohexylsulfanyl)propyl]-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 432.61 |
| Molecular Formula: | C21 H28 N4 O2 S2 |
| Smiles: | CCC1=NN(CC(NCCCSC2CCCCC2)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4904 |
| logD: | 3.4904 |
| logSw: | -3.6819 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.991 |
| InChI Key: | QIHRERBLQHWDRT-UHFFFAOYSA-N |