2-{[(4-bromophenyl)methyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
Chemical Structure Depiction of
2-{[(4-bromophenyl)methyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
2-{[(4-bromophenyl)methyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
Compound characteristics
| Compound ID: | 8012-8452 |
| Compound Name: | 2-{[(4-bromophenyl)methyl]sulfanyl}-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole |
| Molecular Weight: | 437.31 |
| Molecular Formula: | C18 H17 Br N2 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1nnc(o1)SCc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.8159 |
| logD: | 3.8159 |
| logSw: | -4.0251 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.042 |
| InChI Key: | RXLXUQNMRNCDGU-UHFFFAOYSA-N |