4-{[N-(butan-2-yl)(phenyl)carbamamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-{[N-(butan-2-yl)(phenyl)carbamamido]methyl}phenyl ethanesulfonate
4-{[N-(butan-2-yl)(phenyl)carbamamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V006-7870 |
| Compound Name: | 4-{[N-(butan-2-yl)(phenyl)carbamamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 390.5 |
| Molecular Formula: | C20 H26 N2 O4 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(CC)(=O)=O)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7023 |
| logD: | 3.7023 |
| logSw: | -3.9211 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.707 |
| InChI Key: | ISXPCEFNDOQIDU-INIZCTEOSA-N |