5-{[N-(butan-2-yl)(3-methoxyphenyl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
5-{[N-(butan-2-yl)(3-methoxyphenyl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
5-{[N-(butan-2-yl)(3-methoxyphenyl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V012-0960 |
| Compound Name: | 5-{[N-(butan-2-yl)(3-methoxyphenyl)carbamamido]methyl}-2-methoxyphenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 516.59 |
| Molecular Formula: | C26 H29 F N2 O6 S |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(c1ccc(cc1)F)(=O)=O)OC)C(Nc1cccc(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.068 |
| logD: | 5.068 |
| logSw: | -4.707 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.621 |
| InChI Key: | ITQIWBJKBAKRAN-SFHVURJKSA-N |