4-{[(3-cyanophenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl methanesulfonate
Chemical Structure Depiction of
4-{[(3-cyanophenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl methanesulfonate
4-{[(3-cyanophenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl methanesulfonate
Compound characteristics
| Compound ID: | V011-6014 |
| Compound Name: | 4-{[(3-cyanophenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl methanesulfonate |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C20 H23 N3 O4 S |
| Smiles: | CC(C)CN(Cc1ccc(cc1)OS(C)(=O)=O)C(Nc1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4816 |
| logD: | 3.4816 |
| logSw: | -3.875 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.475 |
| InChI Key: | FISKTLZQAOCHLS-UHFFFAOYSA-N |