N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-nitrobenzamide
Chemical Structure Depiction of
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-nitrobenzamide
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-nitrobenzamide
Compound characteristics
| Compound ID: | 0977-3209 |
| Compound Name: | N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-chloro-5-nitrobenzamide |
| Molecular Weight: | 409.85 |
| Molecular Formula: | C20 H12 Cl N3 O3 S |
| Smiles: | c1ccc2c(c1)nc(c1ccc(cc1)NC(c1cc(ccc1[Cl])[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.5172 |
| logD: | 5.5143 |
| logSw: | -5.9313 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.16 |
| InChI Key: | YSEUIDQBIYKAEE-UHFFFAOYSA-N |