3-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}phenyl ethanesulfonate
3-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-9919 |
| Compound Name: | 3-{[N-(butan-2-yl)(ethyl)carbamamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 342.46 |
| Molecular Formula: | C16 H26 N2 O4 S |
| Smiles: | CCC(C)N(Cc1cccc(c1)OS(CC)(=O)=O)C(NCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6976 |
| logD: | 2.6976 |
| logSw: | -3.106 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.927 |
| InChI Key: | PLBSDUOZEZIQTA-ZDUSSCGKSA-N |