3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)benzene-1-sulfonamide
3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | C599-0291 |
| Compound Name: | 3-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 402.43 |
| Molecular Formula: | C18 H18 N4 O5 S |
| Smiles: | CC(C)N(Cc1nc(c2ccccc2)no1)S(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0592 |
| logD: | 4.0592 |
| logSw: | -4.2025 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 97.12 |
| InChI Key: | XDMUKHOLAFHHBF-UHFFFAOYSA-N |