4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-3,5-dinitrobenzamide
Chemical Structure Depiction of
4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-3,5-dinitrobenzamide
4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 1141-0045 |
| Compound Name: | 4-methyl-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]-3,5-dinitrobenzamide |
| Molecular Weight: | 432.39 |
| Molecular Formula: | C22 H16 N4 O6 |
| Smiles: | Cc1cccc(c1)c1nc2cc(ccc2o1)NC(c1cc(c(C)c(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7135 |
| logD: | 4.4918 |
| logSw: | -4.5648 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.301 |
| InChI Key: | VPZZZRIXDDAHGP-UHFFFAOYSA-N |