5-[(3,5-dimethylphenoxy)methyl]-N-{4-[(3-methylbutyl)carbamoyl]phenyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(3,5-dimethylphenoxy)methyl]-N-{4-[(3-methylbutyl)carbamoyl]phenyl}-1,3,4-thiadiazole-2-carboxamide
5-[(3,5-dimethylphenoxy)methyl]-N-{4-[(3-methylbutyl)carbamoyl]phenyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F913-0696 |
| Compound Name: | 5-[(3,5-dimethylphenoxy)methyl]-N-{4-[(3-methylbutyl)carbamoyl]phenyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C24 H28 N4 O3 S |
| Smiles: | CC(C)CCNC(c1ccc(cc1)NC(c1nnc(COc2cc(C)cc(C)c2)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.686 |
| logD: | 4.6793 |
| logSw: | -4.3842 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.083 |
| InChI Key: | SLTHHUBORBPAPW-UHFFFAOYSA-N |