ethyl {[4-ethyl-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[4-ethyl-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[4-ethyl-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | Y205-5820 |
| Compound Name: | ethyl {[4-ethyl-5-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 365.51 |
| Molecular Formula: | C17 H23 N3 O2 S2 |
| Smiles: | CCn1c(c2csc3CC(C)CCc23)nnc1SCC(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2624 |
| logD: | 4.2442 |
| logSw: | -4.1586 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.335 |
| InChI Key: | VGENHZWVXLKUEF-LLVKDONJSA-N |