N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide
Chemical Structure Depiction of
N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide
N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide
Compound characteristics
| Compound ID: | 2652-0385 |
| Compound Name: | N-(6-chloro-1,3-benzothiazol-2-yl)-2,4-dinitrobenzamide |
| Molecular Weight: | 378.75 |
| Molecular Formula: | C14 H7 Cl N4 O5 S |
| Smiles: | c1cc(C(Nc2nc3ccc(cc3s2)[Cl])=O)c(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3051 |
| logD: | 3.134 |
| logSw: | -4.7116 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.553 |
| InChI Key: | BTNBFMCZWKEKAU-UHFFFAOYSA-N |