methyl 2-({[5-(2-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl]methyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({[5-(2-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl]methyl}amino)benzoate
methyl 2-({[5-(2-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl]methyl}amino)benzoate
Compound characteristics
| Compound ID: | 8005-9265 |
| Compound Name: | methyl 2-({[5-(2-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl]methyl}amino)benzoate |
| Molecular Weight: | 420.28 |
| Molecular Formula: | C17 H14 Br N3 O3 S |
| Smiles: | COC(c1ccccc1NCN1C(OC(c2ccccc2[Br])=N1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0667 |
| logD: | 4.0667 |
| logSw: | -4.3511 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.825 |
| InChI Key: | XZKDANRXRGNKIL-UHFFFAOYSA-N |