N-(2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
N-(2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8010-2937 |
| Compound Name: | N-(2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 535.62 |
| Molecular Formula: | C23 H17 N7 O3 S3 |
| Smiles: | C(C(Nc1ccc2c(c1)sc(n2)SCc1ccc(cc1)[N+]([O-])=O)=O)Sc1nnnn1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1426 |
| logD: | 5.1426 |
| logSw: | -5.365 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.23 |
| InChI Key: | NPXGOBICLRIWLN-UHFFFAOYSA-N |