N~2~-{[4-(methylsulfanyl)phenyl]carbamoyl}-N-(5-phenyl-1,3,4-thiadiazol-2-yl)isoleucinamide
Chemical Structure Depiction of
N~2~-{[4-(methylsulfanyl)phenyl]carbamoyl}-N-(5-phenyl-1,3,4-thiadiazol-2-yl)isoleucinamide
N~2~-{[4-(methylsulfanyl)phenyl]carbamoyl}-N-(5-phenyl-1,3,4-thiadiazol-2-yl)isoleucinamide
Compound characteristics
| Compound ID: | V027-8936 |
| Compound Name: | N~2~-{[4-(methylsulfanyl)phenyl]carbamoyl}-N-(5-phenyl-1,3,4-thiadiazol-2-yl)isoleucinamide |
| Molecular Weight: | 455.6 |
| Molecular Formula: | C22 H25 N5 O2 S2 |
| Salt: | not_available |
| Smiles: | CCC(C)C(C(Nc1nnc(c2ccccc2)s1)=O)NC(Nc1ccc(cc1)SC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5867 |
| logD: | 5.5864 |
| logSw: | -5.4366 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.852 |
| InChI Key: | AMVNVSFBACWJSY-UHFFFAOYSA-N |