N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-3-nitro-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-3-nitro-N-(propan-2-yl)benzamide
N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-3-nitro-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | C599-0335 |
| Compound Name: | N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-3-nitro-N-(propan-2-yl)benzamide |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C21 H22 N4 O5 |
| Smiles: | CC(C)N(Cc1nc(c2ccc(cc2)OC)no1)C(c1ccc(C)c(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5262 |
| logD: | 4.5262 |
| logSw: | -4.4664 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 88.16 |
| InChI Key: | HNGDODNODVROPQ-UHFFFAOYSA-N |