methyl 4-{3-[(4-tert-butylphenoxy)methyl]-1,2,4-oxadiazol-5-yl}benzoate
Chemical Structure Depiction of
methyl 4-{3-[(4-tert-butylphenoxy)methyl]-1,2,4-oxadiazol-5-yl}benzoate
methyl 4-{3-[(4-tert-butylphenoxy)methyl]-1,2,4-oxadiazol-5-yl}benzoate
Compound characteristics
| Compound ID: | D231-0216 |
| Compound Name: | methyl 4-{3-[(4-tert-butylphenoxy)methyl]-1,2,4-oxadiazol-5-yl}benzoate |
| Molecular Weight: | 366.42 |
| Molecular Formula: | C21 H22 N2 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1nc(c2ccc(cc2)C(=O)OC)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.4689 |
| logD: | 5.4689 |
| logSw: | -5.5162 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.308 |
| InChI Key: | JDTRLKNPOLKTPN-UHFFFAOYSA-N |