4-({4-methyl-N-[(oxolan-2-yl)methyl]benzamido}methyl)phenyl methanesulfonate
Chemical Structure Depiction of
4-({4-methyl-N-[(oxolan-2-yl)methyl]benzamido}methyl)phenyl methanesulfonate
4-({4-methyl-N-[(oxolan-2-yl)methyl]benzamido}methyl)phenyl methanesulfonate
Compound characteristics
| Compound ID: | V011-9304 |
| Compound Name: | 4-({4-methyl-N-[(oxolan-2-yl)methyl]benzamido}methyl)phenyl methanesulfonate |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C21 H25 N O5 S |
| Smiles: | Cc1ccc(cc1)C(N(CC1CCCO1)Cc1ccc(cc1)OS(C)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5044 |
| logD: | 2.5044 |
| logSw: | -2.6086 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.981 |
| InChI Key: | IHUHZPDCDZMGAP-HXUWFJFHSA-N |