5-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
5-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V027-5150 |
| Compound Name: | 5-({ethyl-N-[(oxolan-2-yl)methyl]carbamamido}methyl)-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 400.49 |
| Molecular Formula: | C18 H28 N2 O6 S |
| Smiles: | CCNC(N(CC1CCCO1)Cc1ccc(c(c1)OS(CC)(=O)=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2229 |
| logD: | 1.2229 |
| logSw: | -2.4766 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.698 |
| InChI Key: | CBHUHXDNUOCQLG-OAHLLOKOSA-N |