N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-{[4-(propan-2-yl)phenyl]carbamoyl}isoleucinamide
Chemical Structure Depiction of
N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-{[4-(propan-2-yl)phenyl]carbamoyl}isoleucinamide
N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-{[4-(propan-2-yl)phenyl]carbamoyl}isoleucinamide
Compound characteristics
| Compound ID: | V030-6487 |
| Compound Name: | N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-{[4-(propan-2-yl)phenyl]carbamoyl}isoleucinamide |
| Molecular Weight: | 530.49 |
| Molecular Formula: | C24 H28 Br N5 O2 S |
| Salt: | not_available |
| Smiles: | CCC(C)C(C(Nc1nnc(c2cccc(c2)[Br])s1)=O)NC(Nc1ccc(cc1)C(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.1403 |
| logD: | 7.14 |
| logSw: | -5.6071 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.852 |
| InChI Key: | VTPVYQITZWOXQZ-UHFFFAOYSA-N |