2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-3316 |
| Compound Name: | 2-{[N-(butan-2-yl)-2-methylpropanamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 437.53 |
| Molecular Formula: | C22 H28 F N O5 S |
| Smiles: | CCC(C)N(Cc1ccccc1OS(c1ccc(c(c1)F)OC)(=O)=O)C(C(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7399 |
| logD: | 4.7399 |
| logSw: | -4.5559 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.528 |
| InChI Key: | WLDZFTBARFMBJY-INIZCTEOSA-N |