2-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
2-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-5315 |
| Compound Name: | 2-{[N-(butan-2-yl)-3-fluorobenzamido]methyl}-4-chlorophenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 533.02 |
| Molecular Formula: | C26 H26 Cl F N2 O5 S |
| Smiles: | CCC(C)N(Cc1cc(ccc1OS(c1ccc(cc1)NC(C)=O)(=O)=O)[Cl])C(c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1628 |
| logD: | 5.1627 |
| logSw: | -5.607 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.888 |
| InChI Key: | XHOMASVSLDPQTI-KRWDZBQOSA-N |