N-{3-[(3-methylbutyl)carbamoyl]phenyl}-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-{3-[(3-methylbutyl)carbamoyl]phenyl}-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
N-{3-[(3-methylbutyl)carbamoyl]phenyl}-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F912-0439 |
| Compound Name: | N-{3-[(3-methylbutyl)carbamoyl]phenyl}-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C23 H26 N4 O3 S |
| Smiles: | CC(C)CCNC(c1cccc(c1)NC(c1nnc(COc2cccc(C)c2)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.595 |
| logD: | 4.5949 |
| logSw: | -4.3902 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.083 |
| InChI Key: | GBNYKLHLJWXRIV-UHFFFAOYSA-N |