3,3-dimethyl-1-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}butan-2-one
Chemical Structure Depiction of
3,3-dimethyl-1-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}butan-2-one
3,3-dimethyl-1-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}butan-2-one
Compound characteristics
| Compound ID: | 8020-2874 |
| Compound Name: | 3,3-dimethyl-1-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}butan-2-one |
| Molecular Weight: | 366.43 |
| Molecular Formula: | C17 H22 N2 O5 S |
| Smiles: | CC(C)(C)C(CSc1nnc(c2cc(c(c(c2)OC)OC)OC)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7857 |
| logD: | 2.7857 |
| logSw: | -2.9959 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.561 |
| InChI Key: | RLNRWWYNLKMTFP-UHFFFAOYSA-N |