2-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
2-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-1984 |
| Compound Name: | 2-({3-methyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 449.54 |
| Molecular Formula: | C23 H28 F N O5 S |
| Smiles: | CC(C)CC(N(CC1CCCO1)Cc1ccccc1OS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9778 |
| logD: | 3.9778 |
| logSw: | -4.0251 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.425 |
| InChI Key: | FWHUSDOGRJOWLQ-HXUWFJFHSA-N |