N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(3-cyanophenyl)carbamoyl]isoleucinamide
Chemical Structure Depiction of
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(3-cyanophenyl)carbamoyl]isoleucinamide
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(3-cyanophenyl)carbamoyl]isoleucinamide
Compound characteristics
| Compound ID: | V017-5763 |
| Compound Name: | N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(3-cyanophenyl)carbamoyl]isoleucinamide |
| Molecular Weight: | 513.41 |
| Molecular Formula: | C22 H21 Br N6 O2 S |
| Smiles: | CCC(C)C(C(Nc1nnc(c2ccc(cc2)[Br])s1)=O)NC(Nc1cccc(C#N)c1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6673 |
| logD: | 5.667 |
| logSw: | -5.4093 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.908 |
| InChI Key: | CJTZDWJDCJLPBF-UHFFFAOYSA-N |