N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-(4-chloro-3-nitrobenzoyl)isoleucinamide
Chemical Structure Depiction of
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-(4-chloro-3-nitrobenzoyl)isoleucinamide
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-(4-chloro-3-nitrobenzoyl)isoleucinamide
Compound characteristics
| Compound ID: | V023-2636 |
| Compound Name: | N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-N~2~-(4-chloro-3-nitrobenzoyl)isoleucinamide |
| Molecular Weight: | 552.83 |
| Molecular Formula: | C21 H19 Br Cl N5 O4 S |
| Salt: | not_available |
| Smiles: | CCC(C)C(C(Nc1nnc(c2ccc(cc2)[Br])s1)=O)NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9129 |
| logD: | 5.9126 |
| logSw: | -6.1747 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.721 |
| InChI Key: | XBPSNSFDNUXYMS-UHFFFAOYSA-N |