N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-(3,5-dichlorobenzoyl)isoleucinamide
Chemical Structure Depiction of
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-(3,5-dichlorobenzoyl)isoleucinamide
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-(3,5-dichlorobenzoyl)isoleucinamide
Compound characteristics
| Compound ID: | V016-5645 |
| Compound Name: | N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-(3,5-dichlorobenzoyl)isoleucinamide |
| Molecular Weight: | 497.83 |
| Molecular Formula: | C21 H19 Cl3 N4 O2 S |
| Salt: | not_available |
| Smiles: | CCC(C)C(C(Nc1nnc(c2ccc(cc2)[Cl])s1)=O)NC(c1cc(cc(c1)[Cl])[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.9425 |
| logD: | 6.9422 |
| logSw: | -6.4371 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.64 |
| InChI Key: | ADGGQEZIZZHLIB-UHFFFAOYSA-N |