N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-(4-ethylbenzoyl)phenylalaninamide
Chemical Structure Depiction of
N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-(4-ethylbenzoyl)phenylalaninamide
N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-(4-ethylbenzoyl)phenylalaninamide
Compound characteristics
| Compound ID: | V017-5746 |
| Compound Name: | N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-(4-ethylbenzoyl)phenylalaninamide |
| Molecular Weight: | 500.58 |
| Molecular Formula: | C27 H24 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCc1ccc(cc1)C(NC(Cc1ccccc1)C(Nc1nnc(c2ccc3c(c2)OCO3)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6651 |
| logD: | 5.6646 |
| logSw: | -5.5187 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.762 |
| InChI Key: | FMALYUFHQWRDBN-NRFANRHFSA-N |