N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide
N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | C599-0459 |
| Compound Name: | N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-methyl-4-nitro-N-(propan-2-yl)benzamide |
| Molecular Weight: | 414.85 |
| Molecular Formula: | C20 H19 Cl N4 O4 |
| Smiles: | CC(C)N(Cc1nc(c2ccc(cc2)[Cl])no1)C(c1ccc(c(C)c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2087 |
| logD: | 5.2087 |
| logSw: | -5.7588 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.617 |
| InChI Key: | AXJQNUCDCAGTPK-UHFFFAOYSA-N |