4-{[(3-methoxypropyl)(4-methylbenzene-1-sulfonyl)amino]methyl}phenyl methanesulfonate
Chemical Structure Depiction of
4-{[(3-methoxypropyl)(4-methylbenzene-1-sulfonyl)amino]methyl}phenyl methanesulfonate
4-{[(3-methoxypropyl)(4-methylbenzene-1-sulfonyl)amino]methyl}phenyl methanesulfonate
Compound characteristics
| Compound ID: | V013-0104 |
| Compound Name: | 4-{[(3-methoxypropyl)(4-methylbenzene-1-sulfonyl)amino]methyl}phenyl methanesulfonate |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C19 H25 N O6 S2 |
| Smiles: | Cc1ccc(cc1)S(N(CCCOC)Cc1ccc(cc1)OS(C)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.999 |
| logD: | 2.999 |
| logSw: | -3.2621 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.084 |
| InChI Key: | SLBSHWZPRNDVIY-UHFFFAOYSA-N |