N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-{[4-(methylsulfanyl)phenyl]carbamoyl}phenylalaninamide
Chemical Structure Depiction of
N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-{[4-(methylsulfanyl)phenyl]carbamoyl}phenylalaninamide
N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-{[4-(methylsulfanyl)phenyl]carbamoyl}phenylalaninamide
Compound characteristics
| Compound ID: | V017-9587 |
| Compound Name: | N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-{[4-(methylsulfanyl)phenyl]carbamoyl}phenylalaninamide |
| Molecular Weight: | 533.63 |
| Molecular Formula: | C26 H23 N5 O4 S2 |
| Salt: | not_available |
| Smiles: | CSc1ccc(cc1)NC(NC(Cc1ccccc1)C(Nc1nnc(c2ccc3c(c2)OCO3)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6011 |
| logD: | 5.6006 |
| logSw: | -5.5283 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.974 |
| InChI Key: | RNHMRKJPAMJESL-FQEVSTJZSA-N |