N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-(4-tert-butylbenzoyl)isoleucinamide
Chemical Structure Depiction of
N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-(4-tert-butylbenzoyl)isoleucinamide
N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-(4-tert-butylbenzoyl)isoleucinamide
Compound characteristics
| Compound ID: | V014-4860 |
| Compound Name: | N-[5-(3-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-(4-tert-butylbenzoyl)isoleucinamide |
| Molecular Weight: | 529.5 |
| Molecular Formula: | C25 H29 Br N4 O2 S |
| Salt: | not_available |
| Smiles: | CCC(C)C(C(Nc1nnc(c2cccc(c2)[Br])s1)=O)NC(c1ccc(cc1)C(C)(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.4881 |
| logD: | 7.4877 |
| logSw: | -5.5965 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.64 |
| InChI Key: | AODQQRHUPXUVEN-UHFFFAOYSA-N |