N~2~-[(4-cyanophenyl)carbamoyl]-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]isoleucinamide
Chemical Structure Depiction of
N~2~-[(4-cyanophenyl)carbamoyl]-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]isoleucinamide
N~2~-[(4-cyanophenyl)carbamoyl]-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]isoleucinamide
Compound characteristics
| Compound ID: | V021-5094 |
| Compound Name: | N~2~-[(4-cyanophenyl)carbamoyl]-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]isoleucinamide |
| Molecular Weight: | 448.55 |
| Molecular Formula: | C23 H24 N6 O2 S |
| Smiles: | CCC(C)C(C(Nc1nnc(c2cccc(C)c2)s1)=O)NC(Nc1ccc(C#N)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9787 |
| logD: | 4.9784 |
| logSw: | -4.5839 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.908 |
| InChI Key: | UYTZXRMWSYJKEO-UHFFFAOYSA-N |