ethyl 2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
ethyl 2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanoate
ethyl 2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | C663-0587 |
| Compound Name: | ethyl 2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 372.44 |
| Molecular Formula: | C18 H20 N4 O3 S |
| Smiles: | CCn1c(c2c[nH]c3ccccc23)nnc1SC(C(C)=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2012 |
| logD: | 3.1959 |
| logSw: | -3.3017 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.688 |
| InChI Key: | OCJLPECPKCFORD-HNNXBMFYSA-N |