N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-nitrobenzamide
Chemical Structure Depiction of
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-nitrobenzamide
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-nitrobenzamide
Compound characteristics
| Compound ID: | G841-0009 |
| Compound Name: | N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-nitrobenzamide |
| Molecular Weight: | 389.43 |
| Molecular Formula: | C21 H15 N3 O3 S |
| Smiles: | Cc1ccc2c(c1)sc(c1ccc(cc1)NC(c1ccccc1[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.1224 |
| logD: | 5.1155 |
| logSw: | -4.9896 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.859 |
| InChI Key: | DKWLEIWLTJIRQW-UHFFFAOYSA-N |