3-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
3-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V001-0252 |
| Compound Name: | 3-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C22 H28 N2 O6 S |
| Smiles: | CCNC(N(CC1CCCO1)Cc1cccc(c1)OS(c1ccc(cc1)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7676 |
| logD: | 2.7676 |
| logSw: | -3.4224 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.178 |
| InChI Key: | MLDGHCPVYYQTOM-HXUWFJFHSA-N |