5-{[N-(butan-2-yl)-4-hexylbenzamido]methyl}-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-{[N-(butan-2-yl)-4-hexylbenzamido]methyl}-2-methoxyphenyl ethanesulfonate
5-{[N-(butan-2-yl)-4-hexylbenzamido]methyl}-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V001-3587 |
| Compound Name: | 5-{[N-(butan-2-yl)-4-hexylbenzamido]methyl}-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 489.67 |
| Molecular Formula: | C27 H39 N O5 S |
| Smiles: | CCCCCCc1ccc(cc1)C(N(Cc1ccc(c(c1)OS(CC)(=O)=O)OC)C(C)CC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5714 |
| logD: | 6.5714 |
| logSw: | -5.5232 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.603 |
| InChI Key: | MTIULFHVSTYGQT-NRFANRHFSA-N |