N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-(2,4-dichlorobenzoyl)phenylalaninamide
Chemical Structure Depiction of
N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-(2,4-dichlorobenzoyl)phenylalaninamide
N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-(2,4-dichlorobenzoyl)phenylalaninamide
Compound characteristics
| Compound ID: | V018-3125 |
| Compound Name: | N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-(2,4-dichlorobenzoyl)phenylalaninamide |
| Molecular Weight: | 541.41 |
| Molecular Formula: | C25 H18 Cl2 N4 O4 S |
| Salt: | not_available |
| Smiles: | C(C(C(Nc1nnc(c2ccc3c(c2)OCO3)s1)=O)NC(c1ccc(cc1[Cl])[Cl])=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2182 |
| logD: | 6.2177 |
| logSw: | -6.1884 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.762 |
| InChI Key: | QEUHUAFTKNHCAW-IBGZPJMESA-N |