5-{[(butan-2-yl)(4-methylbenzene-1-sulfonyl)amino]methyl}-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-{[(butan-2-yl)(4-methylbenzene-1-sulfonyl)amino]methyl}-2-methoxyphenyl ethanesulfonate
5-{[(butan-2-yl)(4-methylbenzene-1-sulfonyl)amino]methyl}-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V011-6143 |
| Compound Name: | 5-{[(butan-2-yl)(4-methylbenzene-1-sulfonyl)amino]methyl}-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 455.59 |
| Molecular Formula: | C21 H29 N O6 S2 |
| Smiles: | CCC(C)N(Cc1ccc(c(c1)OS(CC)(=O)=O)OC)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1406 |
| logD: | 4.1406 |
| logSw: | -4.1758 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 74.806 |
| InChI Key: | XVBZNOHTKZQFIC-KRWDZBQOSA-N |