N-[3-(azepan-1-yl)propyl]-2-(2-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-(azepan-1-yl)propyl]-2-(2-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-[3-(azepan-1-yl)propyl]-2-(2-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Compound characteristics
| Compound ID: | C785-3649 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-(2-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 415.56 |
| Molecular Formula: | C21 H29 N5 O2 S |
| Smiles: | CCc1cc2c(cc3C(N(CC(NCCCN4CCCCCC4)=O)N=Cn23)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.2055 |
| logD: | -0.4231 |
| logSw: | -2.5269 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.328 |
| InChI Key: | VWFQOWSNUOUDPB-UHFFFAOYSA-N |