4-[3-acetyl-5-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-1,3-phenylene diacetate
Chemical Structure Depiction of
4-[3-acetyl-5-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-1,3-phenylene diacetate
4-[3-acetyl-5-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-1,3-phenylene diacetate
Compound characteristics
| Compound ID: | G642-6499 |
| Compound Name: | 4-[3-acetyl-5-(4-methoxy-3-{[(pyridin-2-yl)sulfanyl]methyl}phenyl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-1,3-phenylene diacetate |
| Molecular Weight: | 535.58 |
| Molecular Formula: | C27 H25 N3 O7 S |
| Smiles: | CC(N1C(c2ccc(cc2OC(C)=O)OC(C)=O)OC(c2ccc(c(CSc3ccccn3)c2)OC)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3905 |
| logD: | 3.3904 |
| logSw: | -3.7643 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 92.608 |
| InChI Key: | PAALZAPAMCYTPU-HHHXNRCGSA-N |