N-methyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
Chemical Structure Depiction of
N-methyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
N-methyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
Compound characteristics
| Compound ID: | D349-2403 |
| Compound Name: | N-methyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline |
| Molecular Weight: | 310.31 |
| Molecular Formula: | C16 H14 N4 O3 |
| Smiles: | Cc1cccc(c1)c1nc(c2ccc(c(c2)[N+]([O-])=O)NC)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.322 |
| logD: | 4.322 |
| logSw: | -4.465 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.684 |
| InChI Key: | GJCKWHRXUZTJSX-UHFFFAOYSA-N |