methyl 2-({[5-(2,4-dichlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl]methyl}amino)benzoate
Chemical Structure Depiction of
methyl 2-({[5-(2,4-dichlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl]methyl}amino)benzoate
methyl 2-({[5-(2,4-dichlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl]methyl}amino)benzoate
Compound characteristics
| Compound ID: | 8008-9686 |
| Compound Name: | methyl 2-({[5-(2,4-dichlorophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl]methyl}amino)benzoate |
| Molecular Weight: | 410.28 |
| Molecular Formula: | C17 H13 Cl2 N3 O3 S |
| Smiles: | COC(c1ccccc1NCN1C(OC(c2ccc(cc2[Cl])[Cl])=N1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.927 |
| logD: | 4.927 |
| logSw: | -5.0593 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.825 |
| InChI Key: | HKJCPMHGQOINRP-UHFFFAOYSA-N |