N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-4-methyl-3-nitrobenzamide
N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | 7523-2854 |
| Compound Name: | N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 423.88 |
| Molecular Formula: | C21 H14 Cl N3 O3 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(Nc1ccc(c(c1)[Cl])c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1385 |
| logD: | 6.1071 |
| logSw: | -6.095 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.859 |
| InChI Key: | XNCYUWBMGDBGEC-UHFFFAOYSA-N |