5-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl propane-2-sulfonate
Chemical Structure Depiction of
5-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl propane-2-sulfonate
5-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V027-5107 |
| Compound Name: | 5-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl propane-2-sulfonate |
| Molecular Weight: | 414.52 |
| Molecular Formula: | C19 H30 N2 O6 S |
| Smiles: | CCNC(N(CC1CCCO1)Cc1ccc(c(c1)OS(C(C)C)(=O)=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6899 |
| logD: | 1.6899 |
| logSw: | -2.6479 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.623 |
| InChI Key: | MZHXOGMNNVLVNE-MRXNPFEDSA-N |