methyl 2-{[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl)methyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl)methyl]amino}benzoate
methyl 2-{[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl)methyl]amino}benzoate
Compound characteristics
| Compound ID: | 8002-4349 |
| Compound Name: | methyl 2-{[(5-phenyl-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl)methyl]amino}benzoate |
| Molecular Weight: | 341.39 |
| Molecular Formula: | C17 H15 N3 O3 S |
| Smiles: | COC(c1ccccc1NCN1C(OC(c2ccccc2)=N1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6884 |
| logD: | 3.6884 |
| logSw: | -4.1199 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.825 |
| InChI Key: | RZAZPUPENXQSSL-UHFFFAOYSA-N |