N~2~-(3-chlorobenzoyl)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]isoleucinamide
Chemical Structure Depiction of
N~2~-(3-chlorobenzoyl)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]isoleucinamide
N~2~-(3-chlorobenzoyl)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]isoleucinamide
Compound characteristics
| Compound ID: | V017-4395 |
| Compound Name: | N~2~-(3-chlorobenzoyl)-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]isoleucinamide |
| Molecular Weight: | 442.97 |
| Molecular Formula: | C22 H23 Cl N4 O2 S |
| Smiles: | CCC(C)C(C(Nc1nnc(c2ccc(C)cc2)s1)=O)NC(c1cccc(c1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9501 |
| logD: | 5.9497 |
| logSw: | -6.0706 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.64 |
| InChI Key: | LIYQJNGJDIBMRE-UHFFFAOYSA-N |