N-(4-chloro-3-nitrophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-(4-chloro-3-nitrophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-(4-chloro-3-nitrophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C114-0069 |
| Compound Name: | N-(4-chloro-3-nitrophenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 395.78 |
| Molecular Formula: | C15 H10 Cl N3 O6 S |
| Smiles: | C(C(Nc1ccc(c(c1)[N+]([O-])=O)[Cl])=O)N1C(c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7596 |
| logD: | 1.7346 |
| logSw: | -3.2484 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.414 |
| InChI Key: | FZNSBZKCIBLUAE-UHFFFAOYSA-N |