N-{5-[(3,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide
Chemical Structure Depiction of
N-{5-[(3,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide
N-{5-[(3,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide
Compound characteristics
| Compound ID: | E136-2462 |
| Compound Name: | N-{5-[(3,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C22 H26 N4 O4 S |
| Smiles: | Cc1cc(C)cc(c1)OCc1nnc(NC(C(c2cc(C)n(CCOC)c2C)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.8277 |
| logD: | 3.0623 |
| logSw: | -3.9106 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.85 |
| InChI Key: | QPMQCCPATPVJBA-UHFFFAOYSA-N |