4-{[N-(butan-2-yl)(3-cyanophenyl)carbamamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-{[N-(butan-2-yl)(3-cyanophenyl)carbamamido]methyl}phenyl ethanesulfonate
4-{[N-(butan-2-yl)(3-cyanophenyl)carbamamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V011-9348 |
| Compound Name: | 4-{[N-(butan-2-yl)(3-cyanophenyl)carbamamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C21 H25 N3 O4 S |
| Smiles: | CCC(C)N(Cc1ccc(cc1)OS(CC)(=O)=O)C(Nc1cccc(C#N)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.755 |
| logD: | 3.755 |
| logSw: | -3.9923 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.763 |
| InChI Key: | FQFFWYTYBAHPIS-INIZCTEOSA-N |