4-chloro-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-chloro-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
4-chloro-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2783-5045 |
| Compound Name: | 4-chloro-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide |
| Molecular Weight: | 421.84 |
| Molecular Formula: | C22 H16 Cl N3 O4 |
| Smiles: | Cc1cc2c(cc1C)oc(c1cccc(c1)NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.7738 |
| logD: | 5.7721 |
| logSw: | -6.1114 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.22 |
| InChI Key: | MVFVKMMGSXPALT-UHFFFAOYSA-N |