2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-5-methyl-1,3,4-thiadiazole
Chemical Structure Depiction of
2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-5-methyl-1,3,4-thiadiazole
2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-5-methyl-1,3,4-thiadiazole
Compound characteristics
| Compound ID: | 8006-4116 |
| Compound Name: | 2-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-5-methyl-1,3,4-thiadiazole |
| Molecular Weight: | 297.35 |
| Molecular Formula: | C11 H11 N3 O3 S2 |
| Smiles: | Cc1nnc(SCc2ccc(c(c2)[N+]([O-])=O)OC)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.1567 |
| logD: | 2.1567 |
| logSw: | -2.4148 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.349 |
| InChI Key: | QMLQEXCFDKLQQC-UHFFFAOYSA-N |