N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-(3,5-dimethoxybenzoyl)phenylalaninamide
Chemical Structure Depiction of
N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-(3,5-dimethoxybenzoyl)phenylalaninamide
N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-(3,5-dimethoxybenzoyl)phenylalaninamide
Compound characteristics
| Compound ID: | V004-8922 |
| Compound Name: | N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-(3,5-dimethoxybenzoyl)phenylalaninamide |
| Molecular Weight: | 532.57 |
| Molecular Formula: | C27 H24 N4 O6 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1)OC)C(NC(Cc1ccccc1)C(Nc1nnc(c2ccc3c(c2)OCO3)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9999 |
| logD: | 4.9994 |
| logSw: | -4.7073 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.85 |
| InChI Key: | FDWWDCZPZBMFEZ-NRFANRHFSA-N |