N-(2-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Chemical Structure Depiction of
N-(2-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
N-(2-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Compound characteristics
| Compound ID: | 3614-0227 |
| Compound Name: | N-(2-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide |
| Molecular Weight: | 393.87 |
| Molecular Formula: | C16 H12 Cl N3 O3 S2 |
| Smiles: | CC(Nc1ccc2c(c1)sc(n2)SCc1c(cccc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7234 |
| logD: | 4.7234 |
| logSw: | -4.8714 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.391 |
| InChI Key: | JIILCLISLBIQJT-UHFFFAOYSA-N |