N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-N~2~-[(4-chlorophenyl)carbamoyl]isoleucinamide
Chemical Structure Depiction of
N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-N~2~-[(4-chlorophenyl)carbamoyl]isoleucinamide
N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-N~2~-[(4-chlorophenyl)carbamoyl]isoleucinamide
Compound characteristics
| Compound ID: | V015-3590 |
| Compound Name: | N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-N~2~-[(4-chlorophenyl)carbamoyl]isoleucinamide |
| Molecular Weight: | 487.96 |
| Molecular Formula: | C22 H22 Cl N5 O4 S |
| Salt: | not_available |
| Smiles: | CCC(C)C(C(Nc1nnc(c2ccc3c(c2)OCO3)s1)=O)NC(Nc1ccc(cc1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4703 |
| logD: | 5.4701 |
| logSw: | -5.9926 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.967 |
| InChI Key: | TTWRSXGXTSCFOA-UHFFFAOYSA-N |