N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-nitrobenzamide
Chemical Structure Depiction of
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-nitrobenzamide
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-nitrobenzamide
Compound characteristics
| Compound ID: | 2154-0435 |
| Compound Name: | N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-chloro-5-nitrobenzamide |
| Molecular Weight: | 423.88 |
| Molecular Formula: | C21 H14 Cl N3 O3 S |
| Smiles: | Cc1ccc(cc1NC(c1cc(ccc1[Cl])[N+]([O-])=O)=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.7784 |
| logD: | 5.774 |
| logSw: | -5.9066 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.462 |
| InChI Key: | HCWDMONZIDPUKF-UHFFFAOYSA-N |