3-({N-[(oxolan-2-yl)methyl](propan-2-yl)carbamamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
3-({N-[(oxolan-2-yl)methyl](propan-2-yl)carbamamido}methyl)phenyl ethanesulfonate
3-({N-[(oxolan-2-yl)methyl](propan-2-yl)carbamamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V027-2089 |
| Compound Name: | 3-({N-[(oxolan-2-yl)methyl](propan-2-yl)carbamamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 384.49 |
| Molecular Formula: | C18 H28 N2 O5 S |
| Smiles: | CCS(=O)(=O)Oc1cccc(CN(CC2CCCO2)C(NC(C)C)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0355 |
| logD: | 2.0355 |
| logSw: | -2.7535 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.33 |
| InChI Key: | CLOBLPDUMMTTOD-QGZVFWFLSA-N |