5-{[(3-fluorophenyl)-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[(3-fluorophenyl)-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
5-{[(3-fluorophenyl)-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V003-2056 |
| Compound Name: | 5-{[(3-fluorophenyl)-N-(2-methylpropyl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 504.55 |
| Molecular Formula: | C25 H26 F2 N2 O5 S |
| Smiles: | CC(C)CN(Cc1ccc(c(c1)OS(c1ccc(cc1)F)(=O)=O)OC)C(Nc1cccc(c1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1776 |
| logD: | 5.1776 |
| logSw: | -5.0829 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.749 |
| InChI Key: | ODCWWALYAFRINM-UHFFFAOYSA-N |