N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-chloro-3-nitrobenzamide
Chemical Structure Depiction of
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-chloro-3-nitrobenzamide
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-chloro-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2783-5056 |
| Compound Name: | N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-chloro-3-nitrobenzamide |
| Molecular Weight: | 409.78 |
| Molecular Formula: | C20 H12 Cl N3 O5 |
| Smiles: | c1ccc2c(c1)nc(c1ccc(cc1O)NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 4.8032 |
| logD: | 4.7951 |
| logSw: | -4.6643 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.769 |
| InChI Key: | ZMIRNPYMVJZFLV-UHFFFAOYSA-N |