N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-{[4-(methylsulfanyl)phenyl]carbamoyl}isoleucinamide
Chemical Structure Depiction of
N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-{[4-(methylsulfanyl)phenyl]carbamoyl}isoleucinamide
N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-{[4-(methylsulfanyl)phenyl]carbamoyl}isoleucinamide
Compound characteristics
| Compound ID: | V014-9805 |
| Compound Name: | N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-{[4-(methylsulfanyl)phenyl]carbamoyl}isoleucinamide |
| Molecular Weight: | 534.5 |
| Molecular Formula: | C22 H24 Br N5 O2 S2 |
| Salt: | not_available |
| Smiles: | CCC(C)C(C(Nc1nnc(c2cccc(c2)[Br])s1)=O)NC(Nc1ccc(cc1)SC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.5214 |
| logD: | 6.5211 |
| logSw: | -5.6128 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.852 |
| InChI Key: | MINWIYZQPSSSEY-UHFFFAOYSA-N |