N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide
Chemical Structure Depiction of
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide
Compound characteristics
| Compound ID: | 3729-2811 |
| Compound Name: | N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-nitrobenzamide |
| Molecular Weight: | 375.34 |
| Molecular Formula: | C20 H13 N3 O5 |
| Smiles: | c1ccc2c(c1)nc(c1ccc(cc1O)NC(c1ccc(cc1)[N+]([O-])=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 4.5138 |
| logD: | 4.5065 |
| logSw: | -4.3607 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.07 |
| InChI Key: | AIHRTICCMHTAPK-UHFFFAOYSA-N |