N-[3-(azepan-1-yl)propyl]-2-(2,5-diethyl-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-(2,5-diethyl-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-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Compound characteristics
| Compound ID: | C785-3942 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 443.61 |
| Molecular Formula: | C23 H33 N5 O2 S |
| Smiles: | CCC1=NN(CC(NCCCN2CCCCCC2)=O)C(c2cc3c(cc(CC)s3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1827 |
| logD: | 0.5541 |
| logSw: | -3.2207 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.112 |
| InChI Key: | RWMVDXZGKJPUHS-UHFFFAOYSA-N |