ethyl {[6-(2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-1,3-benzothiazol-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[6-(2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-1,3-benzothiazol-2-yl]sulfanyl}acetate
ethyl {[6-(2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-1,3-benzothiazol-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | 8012-1211 |
| Compound Name: | ethyl {[6-(2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-1,3-benzothiazol-2-yl]sulfanyl}acetate |
| Molecular Weight: | 544.63 |
| Molecular Formula: | C22 H20 N6 O5 S3 |
| Smiles: | CCOC(CSc1nc2ccc(cc2s1)NC(CSc1nnc(c2cccc(c2)[N+]([O-])=O)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4888 |
| logD: | 4.4888 |
| logSw: | -4.3363 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.822 |
| InChI Key: | FSJSOHGUDSODTC-UHFFFAOYSA-N |