4-chloro-2-{[2-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-{[2-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-{[2-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-3610 |
| Compound Name: | 4-chloro-2-{[2-fluoro-N-(propan-2-yl)benzamido]methyl}phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 518.99 |
| Molecular Formula: | C25 H24 Cl F N2 O5 S |
| Smiles: | CC(C)N(Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])C(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6695 |
| logD: | 4.6694 |
| logSw: | -4.8247 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.303 |
| InChI Key: | NNGOIFJMUCWXOK-UHFFFAOYSA-N |