N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-4-chloro-3-nitrobenzamide
Chemical Structure Depiction of
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-4-chloro-3-nitrobenzamide
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-4-chloro-3-nitrobenzamide
Compound characteristics
| Compound ID: | 2081-1337 |
| Compound Name: | N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-4-chloro-3-nitrobenzamide |
| Molecular Weight: | 449.89 |
| Molecular Formula: | C24 H20 Cl N3 O4 |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nc2cc(ccc2o1)NC(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.5561 |
| logD: | 6.4308 |
| logSw: | -6.3373 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.22 |
| InChI Key: | TYADSDCZBIFLEH-UHFFFAOYSA-N |