5-({3-fluoro-N-[(oxolan-2-yl)methyl]benzamido}methyl)-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-({3-fluoro-N-[(oxolan-2-yl)methyl]benzamido}methyl)-2-methoxyphenyl ethanesulfonate
5-({3-fluoro-N-[(oxolan-2-yl)methyl]benzamido}methyl)-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-4842 |
| Compound Name: | 5-({3-fluoro-N-[(oxolan-2-yl)methyl]benzamido}methyl)-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 451.51 |
| Molecular Formula: | C22 H26 F N O6 S |
| Smiles: | CCS(=O)(=O)Oc1cc(CN(CC2CCCO2)C(c2cccc(c2)F)=O)ccc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2371 |
| logD: | 2.2371 |
| logSw: | -2.6999 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.658 |
| InChI Key: | VKMKOWUVGHXNGO-LJQANCHMSA-N |