3-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
3-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-5795 |
| Compound Name: | 3-({3,3-dimethyl-N-[(oxolan-2-yl)methyl]butanamido}methyl)phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 475.6 |
| Molecular Formula: | C25 H33 N O6 S |
| Smiles: | CC(C)(C)CC(N(CC1CCCO1)Cc1cccc(c1)OS(c1ccc(cc1)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2511 |
| logD: | 4.2511 |
| logSw: | -4.4515 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.882 |
| InChI Key: | FXEYYUZMVKQKIA-JOCHJYFZSA-N |