3-{[N-(butan-2-yl)(butyl)carbamamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
3-{[N-(butan-2-yl)(butyl)carbamamido]methyl}phenyl ethanesulfonate
3-{[N-(butan-2-yl)(butyl)carbamamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V014-2056 |
| Compound Name: | 3-{[N-(butan-2-yl)(butyl)carbamamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 370.51 |
| Molecular Formula: | C18 H30 N2 O4 S |
| Smiles: | CCCCNC(N(Cc1cccc(c1)OS(CC)(=O)=O)C(C)CC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9941 |
| logD: | 3.9941 |
| logSw: | -3.9667 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.142 |
| InChI Key: | GBULIHPCYVNBPJ-HNNXBMFYSA-N |