N-{3-[(3-methylbutyl)carbamoyl]phenyl}-5-propyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-{3-[(3-methylbutyl)carbamoyl]phenyl}-5-propyl-1,3,4-thiadiazole-2-carboxamide
N-{3-[(3-methylbutyl)carbamoyl]phenyl}-5-propyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F854-0563 |
| Compound Name: | N-{3-[(3-methylbutyl)carbamoyl]phenyl}-5-propyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 360.48 |
| Molecular Formula: | C18 H24 N4 O2 S |
| Smiles: | CCCc1nnc(C(Nc2cccc(c2)C(NCCC(C)C)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.808 |
| logD: | 3.8079 |
| logSw: | -3.8826 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.855 |
| InChI Key: | VPGBIEAMYSAMQS-UHFFFAOYSA-N |