N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-nitro-N-(propan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-nitro-N-(propan-2-yl)benzene-1-sulfonamide
N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-nitro-N-(propan-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | C599-0252 |
| Compound Name: | N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-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(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5988 |
| logD: | 4.5988 |
| logSw: | -4.5019 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.12 |
| InChI Key: | DVRCFOVBAWGOLL-UHFFFAOYSA-N |