2-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-6-ethoxy-1,3-benzothiazole
Chemical Structure Depiction of
2-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-6-ethoxy-1,3-benzothiazole
2-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-6-ethoxy-1,3-benzothiazole
Compound characteristics
| Compound ID: | 8012-4406 |
| Compound Name: | 2-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-6-ethoxy-1,3-benzothiazole |
| Molecular Weight: | 380.87 |
| Molecular Formula: | C16 H13 Cl N2 O3 S2 |
| Smiles: | CCOc1ccc2c(c1)sc(n2)SCc1c(cccc1[Cl])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.857 |
| logD: | 5.857 |
| logSw: | -6.142 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.252 |
| InChI Key: | DCHYKGSTLTZXEC-UHFFFAOYSA-N |