N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-3-methyl-4-nitrobenzamide
Chemical Structure Depiction of
N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-3-methyl-4-nitrobenzamide
N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-3-methyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | F019-0188 |
| Compound Name: | N-[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]-3-methyl-4-nitrobenzamide |
| Molecular Weight: | 423.88 |
| Molecular Formula: | C21 H14 Cl N3 O3 S |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(Nc1ccc(c(c1)c1nc2ccccc2s1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.2126 |
| logD: | 6.2058 |
| logSw: | -6.0202 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.859 |
| InChI Key: | YTXZBZAJLYSILR-UHFFFAOYSA-N |