N-{2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl}-4-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-{2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl}-4-methyl-3-nitrobenzamide
N-{2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl}-4-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | 1550-0294 |
| Compound Name: | N-{2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl}-4-methyl-3-nitrobenzamide |
| Molecular Weight: | 421.84 |
| Molecular Formula: | C22 H16 Cl N3 O4 |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(Nc1ccc2c(c1)nc(Cc1ccc(cc1)[Cl])o2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6984 |
| logD: | 5.6814 |
| logSw: | -6.0095 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.886 |
| InChI Key: | QBFRDUHZHNBAPR-UHFFFAOYSA-N |