1-[2-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-5-(4-bromophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[2-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-5-(4-bromophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[2-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-5-(4-bromophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F076-0459 |
| Compound Name: | 1-[2-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methoxyphenyl)-5-(4-bromophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 554.48 |
| Molecular Formula: | C25 H20 Br N3 O3 S2 |
| Smiles: | CC(N1C(c2ccc(c(CSc3nc4ccccc4s3)c2)OC)OC(c2ccc(cc2)[Br])=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8909 |
| logD: | 6.8909 |
| logSw: | -5.7015 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.692 |
| InChI Key: | ZJUIBWIOKMWWKW-XMMPIXPASA-N |