N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(3-chloro-4-fluorophenyl)carbamoyl]isoleucinamide
Chemical Structure Depiction of
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(3-chloro-4-fluorophenyl)carbamoyl]isoleucinamide
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(3-chloro-4-fluorophenyl)carbamoyl]isoleucinamide
Compound characteristics
| Compound ID: | V017-5760 |
| Compound Name: | N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(3-chloro-4-fluorophenyl)carbamoyl]isoleucinamide |
| Molecular Weight: | 540.84 |
| Molecular Formula: | C21 H20 Br Cl F N5 O2 S |
| Salt: | not_available |
| Smiles: | CCC(C)C(C(Nc1nnc(c2ccc(cc2)[Br])s1)=O)NC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5365 |
| logD: | 6.5362 |
| logSw: | -6.3546 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.852 |
| InChI Key: | GZOTYCWJFLGVDE-UHFFFAOYSA-N |