5-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
5-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
5-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-0736 |
| Compound Name: | 5-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 493.59 |
| Molecular Formula: | C25 H32 F N O6 S |
| Smiles: | CC(C)(C)CC(N(CC1CCCO1)Cc1ccc(c(c1)OS(c1ccc(cc1)F)(=O)=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9927 |
| logD: | 3.9927 |
| logSw: | -4.1899 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.055 |
| InChI Key: | PPHLISWGRFGKIT-HXUWFJFHSA-N |