N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-chloro-3-nitrobenzamide
Chemical Structure Depiction of
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-chloro-3-nitrobenzamide
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-chloro-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2081-1188 |
| Compound Name: | N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-chloro-3-nitrobenzamide |
| Molecular Weight: | 407.81 |
| Molecular Formula: | C21 H14 Cl N3 O4 |
| Smiles: | Cc1c(cccc1NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)c1nc2ccccc2o1 |
| Stereo: | ACHIRAL |
| logP: | 5.0684 |
| logD: | 5.0654 |
| logSw: | -5.2796 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.523 |
| InChI Key: | GDRMWGTYDTVXLQ-UHFFFAOYSA-N |