N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(3,5-dimethoxyphenyl)carbamoyl]isoleucinamide
Chemical Structure Depiction of
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(3,5-dimethoxyphenyl)carbamoyl]isoleucinamide
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(3,5-dimethoxyphenyl)carbamoyl]isoleucinamide
Compound characteristics
| Compound ID: | V004-8850 |
| Compound Name: | N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(3,5-dimethoxyphenyl)carbamoyl]isoleucinamide |
| Molecular Weight: | 504.01 |
| Molecular Formula: | C23 H26 Cl N5 O4 S |
| Salt: | not_available |
| Smiles: | CCC(C)C(C(Nc1nnc(c2ccc(cc2)[Cl])s1)=O)NC(Nc1cc(cc(c1)OC)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7062 |
| logD: | 5.7059 |
| logSw: | -6.0046 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.939 |
| InChI Key: | MRKGERMJDQSFOR-UHFFFAOYSA-N |