4-{[4-nitro-N-(propan-2-yl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[4-nitro-N-(propan-2-yl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
4-{[4-nitro-N-(propan-2-yl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V007-0741 |
| Compound Name: | 4-{[4-nitro-N-(propan-2-yl)benzamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 472.49 |
| Molecular Formula: | C23 H21 F N2 O6 S |
| Smiles: | CC(C)N(Cc1ccc(cc1)OS(c1ccc(cc1)F)(=O)=O)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.523 |
| logD: | 4.523 |
| logSw: | -4.2509 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.336 |
| InChI Key: | VMXVKJXSKSJULJ-UHFFFAOYSA-N |