N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanamide
Chemical Structure Depiction of
N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanamide
N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanamide
Compound characteristics
| Compound ID: | 8011-5557 |
| Compound Name: | N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-({5-[(4-cyclohexylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanamide |
| Molecular Weight: | 734.96 |
| Molecular Formula: | C39 H38 N6 O3 S3 |
| Smiles: | CC(C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccccc1)=O)=O)Sc1nnc(COc2ccc(cc2)C2CCCCC2)n1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.7869 |
| logD: | 8.7868 |
| logSw: | -5.4966 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.43 |
| InChI Key: | OWZHPRTYIHCODW-SANMLTNESA-N |