N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-[(4-nitrophenyl)carbamoyl]phenylalaninamide
Chemical Structure Depiction of
N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-[(4-nitrophenyl)carbamoyl]phenylalaninamide
N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-[(4-nitrophenyl)carbamoyl]phenylalaninamide
Compound characteristics
| Compound ID: | V018-3111 |
| Compound Name: | N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-Nalpha-[(4-nitrophenyl)carbamoyl]phenylalaninamide |
| Molecular Weight: | 532.53 |
| Molecular Formula: | C25 H20 N6 O6 S |
| Salt: | not_available |
| Smiles: | C(C(C(Nc1nnc(c2ccc3c(c2)OCO3)s1)=O)NC(Nc1ccc(cc1)[N+]([O-])=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8074 |
| logD: | 4.807 |
| logSw: | -5.0088 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 130.355 |
| InChI Key: | STVMMYYTHSLBDB-IBGZPJMESA-N |