N-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide
Chemical Structure Depiction of
N-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide
N-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide
Compound characteristics
| Compound ID: | 8008-8544 |
| Compound Name: | N-{5-[(4-tert-butylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | Cc1cccc(c1)C(Nc1nnc(COc2ccc(cc2)C(C)(C)C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7131 |
| logD: | 4.222 |
| logSw: | -5.4728 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.597 |
| InChI Key: | JWXQUVSEQOTSGG-UHFFFAOYSA-N |