2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Chemical Structure Depiction of
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Compound characteristics
| Compound ID: | 8010-2936 |
| Compound Name: | 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide |
| Molecular Weight: | 610.74 |
| Molecular Formula: | C30 H22 N6 O3 S3 |
| Smiles: | C(C(Nc1ccc2c(c1)sc(n2)SCc1ccc(cc1)[N+]([O-])=O)=O)Sc1nnc(c2ccccc2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.9298 |
| logD: | 6.9298 |
| logSw: | -6.0823 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.053 |
| InChI Key: | QQEPEUKHYHIKMB-UHFFFAOYSA-N |