5-[({[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-[({[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[({[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | 8019-0647 |
| Compound Name: | 5-[({[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}sulfanyl)methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 379.39 |
| Molecular Formula: | C15 H17 N5 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1nnc(CSCC2NC(NN=2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 1.2484 |
| logD: | 1.0799 |
| logSw: | -2.2834 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.585 |
| InChI Key: | KILYPXWTQNPJLV-UHFFFAOYSA-N |