5-{[N-(butan-2-yl)-2-fluorobenzamido]methyl}-2-methoxyphenyl propane-2-sulfonate
Chemical Structure Depiction of
5-{[N-(butan-2-yl)-2-fluorobenzamido]methyl}-2-methoxyphenyl propane-2-sulfonate
5-{[N-(butan-2-yl)-2-fluorobenzamido]methyl}-2-methoxyphenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V029-9766 |
| Compound Name: | 5-{[N-(butan-2-yl)-2-fluorobenzamido]methyl}-2-methoxyphenyl propane-2-sulfonate |
| Molecular Weight: | 437.53 |
| Molecular Formula: | C22 H28 F N O5 S |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(C(C)C)(=O)=O)OC)C(c1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0679 |
| logD: | 4.0679 |
| logSw: | -4.1815 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.528 |
| InChI Key: | DUDZFVWTYKDIPC-INIZCTEOSA-N |