N-{3-[(3-methylbutyl)carbamoyl]phenyl}-5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-{3-[(3-methylbutyl)carbamoyl]phenyl}-5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
N-{3-[(3-methylbutyl)carbamoyl]phenyl}-5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F912-0334 |
| Compound Name: | N-{3-[(3-methylbutyl)carbamoyl]phenyl}-5-[(2-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(COc2ccccc2C)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5785 |
| logD: | 4.5784 |
| logSw: | -4.4033 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.17 |
| InChI Key: | QYYFLKSGZZRVPY-UHFFFAOYSA-N |