7-[2-(azepan-1-yl)-2-oxoethyl]-5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Chemical Structure Depiction of
7-[2-(azepan-1-yl)-2-oxoethyl]-5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
7-[2-(azepan-1-yl)-2-oxoethyl]-5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C785-1969 |
| Compound Name: | 7-[2-(azepan-1-yl)-2-oxoethyl]-5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one |
| Molecular Weight: | 358.46 |
| Molecular Formula: | C18 H22 N4 O2 S |
| Smiles: | CCC1=NN(CC(N2CCCCCC2)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4999 |
| logD: | 2.4999 |
| logSw: | -2.6432 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.209 |
| InChI Key: | CFWXZSNOTMECAR-UHFFFAOYSA-N |