N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(4-nitrophenyl)carbamoyl]isoleucinamide
Chemical Structure Depiction of
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(4-nitrophenyl)carbamoyl]isoleucinamide
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(4-nitrophenyl)carbamoyl]isoleucinamide
Compound characteristics
| Compound ID: | V017-5715 |
| Compound Name: | N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-[(4-nitrophenyl)carbamoyl]isoleucinamide |
| Molecular Weight: | 533.4 |
| Molecular Formula: | C21 H21 Br N6 O4 S |
| Salt: | not_available |
| Smiles: | CCC(C)C(C(Nc1nnc(c2ccc(cc2)[Br])s1)=O)NC(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.732 |
| logD: | 5.7317 |
| logSw: | -5.4096 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 113.233 |
| InChI Key: | NWZAOZZGZOZTKX-UHFFFAOYSA-N |