2-[(1-acetyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide
Chemical Structure Depiction of
2-[(1-acetyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide
2-[(1-acetyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide
Compound characteristics
| Compound ID: | D026-0052 |
| Compound Name: | 2-[(1-acetyl-1H-benzimidazol-2-yl)sulfanyl]-N-[5-(4-bromophenyl)-6H-1,3,4-thiadiazin-2-yl]butanamide |
| Molecular Weight: | 530.46 |
| Molecular Formula: | C22 H20 Br N5 O2 S2 |
| Smiles: | CCC(C(NC1=NN=C(CS1)c1ccc(cc1)[Br])=O)Sc1nc2ccccc2n1C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1906 |
| logD: | 5.1901 |
| logSw: | -5.0376 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.202 |
| InChI Key: | PQWQYZWRUFZNAV-IBGZPJMESA-N |