N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-nitro-N-(propan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-nitro-N-(propan-2-yl)benzene-1-sulfonamide
N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-nitro-N-(propan-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | C599-0287 |
| Compound Name: | N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2-nitro-N-(propan-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 416.45 |
| Molecular Formula: | C19 H20 N4 O5 S |
| Smiles: | CC(C)N(Cc1nc(c2cccc(C)c2)no1)S(c1ccccc1[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.285 |
| logD: | 4.285 |
| logSw: | -4.4411 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.82 |
| InChI Key: | PVHXFELUOQWJIZ-UHFFFAOYSA-N |