N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(3,4-difluorophenyl)carbamoyl]isoleucinamide
Chemical Structure Depiction of
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(3,4-difluorophenyl)carbamoyl]isoleucinamide
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(3,4-difluorophenyl)carbamoyl]isoleucinamide
Compound characteristics
| Compound ID: | V025-1312 |
| Compound Name: | N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(3,4-difluorophenyl)carbamoyl]isoleucinamide |
| Molecular Weight: | 479.93 |
| Molecular Formula: | C21 H20 Cl F2 N5 O2 S |
| Smiles: | CCC(C)C(C(Nc1nnc(c2cccc(c2)[Cl])s1)=O)NC(Nc1ccc(c(c1)F)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9726 |
| logD: | 5.9723 |
| logSw: | -6.1245 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.852 |
| InChI Key: | SNDNQGSMYPBLNA-UHFFFAOYSA-N |