7-[2-(azepan-1-yl)-2-oxoethyl]thieno[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]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
7-[2-(azepan-1-yl)-2-oxoethyl]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C785-0248 |
| Compound Name: | 7-[2-(azepan-1-yl)-2-oxoethyl]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one |
| Molecular Weight: | 330.41 |
| Molecular Formula: | C16 H18 N4 O2 S |
| Smiles: | C1CCCN(CC1)C(CN1C(c2cc3c(ccs3)n2C=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5227 |
| logD: | 1.5227 |
| logSw: | -2.3167 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.425 |
| InChI Key: | ZRJXQBPLWJQVEP-UHFFFAOYSA-N |