5-{[N-(butan-2-yl)-2-fluorobenzamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[N-(butan-2-yl)-2-fluorobenzamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
5-{[N-(butan-2-yl)-2-fluorobenzamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-2972 |
| Compound Name: | 5-{[N-(butan-2-yl)-2-fluorobenzamido]methyl}-2-methoxyphenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 528.6 |
| Molecular Formula: | C27 H29 F N2 O6 S |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(c1ccc(cc1)NC(C)=O)(=O)=O)OC)C(c1ccccc1F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0592 |
| logD: | 4.0591 |
| logSw: | -4.1632 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.518 |
| InChI Key: | VIXNTLNRALWLRY-SFHVURJKSA-N |