N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-nitrobenzamide
Chemical Structure Depiction of
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-nitrobenzamide
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-nitrobenzamide
Compound characteristics
| Compound ID: | 2276-0474 |
| Compound Name: | N-[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-nitrobenzamide |
| Molecular Weight: | 407.81 |
| Molecular Formula: | C21 H14 Cl N3 O4 |
| Smiles: | Cc1c(cccc1NC(c1ccccc1[N+]([O-])=O)=O)c1nc2cc(ccc2o1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.9775 |
| logD: | 4.9704 |
| logSw: | -4.933 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.523 |
| InChI Key: | CDDGKLJXYALAMP-UHFFFAOYSA-N |