N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-[(2-bromophenyl)carbamoyl]phenylalaninamide
Chemical Structure Depiction of
N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-[(2-bromophenyl)carbamoyl]phenylalaninamide
N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-[(2-bromophenyl)carbamoyl]phenylalaninamide
Compound characteristics
| Compound ID: | V018-3158 |
| Compound Name: | N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-[(2-bromophenyl)carbamoyl]phenylalaninamide |
| Molecular Weight: | 566.43 |
| Molecular Formula: | C25 H20 Br N5 O4 S |
| Salt: | not_available |
| Smiles: | C(C(C(Nc1nnc(c2ccc3c(c2)OCO3)s1)=O)NC(Nc1ccccc1[Br])=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1454 |
| logD: | 5.145 |
| logSw: | -5.5294 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.276 |
| InChI Key: | TVFRBYUGWQOZPF-IBGZPJMESA-N |