N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitrobenzamide
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | 8008-5926 |
| Compound Name: | N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3,5-dinitrobenzamide |
| Molecular Weight: | 466.84 |
| Molecular Formula: | C22 H15 Cl N4 O6 |
| Smiles: | Cc1ccc2c(c1)nc(c1ccc(c(c1)NC(c1cc(c(C)c(c1)[N+]([O-])=O)[N+]([O-])=O)=O)[Cl])o2 |
| Stereo: | ACHIRAL |
| logP: | 5.2534 |
| logD: | 5.0447 |
| logSw: | -5.8488 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.603 |
| InChI Key: | FXHRIFMTCUGIOQ-UHFFFAOYSA-N |