2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Chemical Structure Depiction of
2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Compound characteristics
| Compound ID: | 8010-4956 |
| Compound Name: | 2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide |
| Molecular Weight: | 754.95 |
| Molecular Formula: | C38 H38 N6 O5 S3 |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1nnc(n1c1ccccc1)SCC(Nc1ccc2c(c1)sc(n2)SCC(Nc1cc(ccc1OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.6808 |
| logD: | 7.6804 |
| logSw: | -5.7119 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.773 |
| InChI Key: | VYWKIKMZKNCHSM-UHFFFAOYSA-N |