{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Chemical Structure Depiction of
{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Compound characteristics
| Compound ID: | 8017-4538 |
| Compound Name: | {[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid |
| Molecular Weight: | 302.35 |
| Molecular Formula: | C14 H14 N4 O2 S |
| Smiles: | CCn1c(c2c[nH]c3ccccc23)nnc1SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0492 |
| logD: | -1.2433 |
| logSw: | -2.747 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.492 |
| InChI Key: | DGEJWPQKLSCVKQ-UHFFFAOYSA-N |