E-4031
N-[4-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide
| Molecular Formula | C21H27N3O3S |
|---|---|
| Molecular Weight | 401.5 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 87.8 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.1773 |
| Heavy Atoms | 28 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 113559-13-0 |
|---|---|
| SMILES | CC1=NC(=CC=C1)CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C |
| InChIKey | SRUISGSHWFJION-UHFFFAOYSA-N |
📖 Product Overview
E-4031 (CAS: 113559-13-0) is a chemical compound with molecular formula C21H27N3O3S and molecular weight 401.5 g/mol. Its IUPAC systematic name is N-[4-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide.
SRUISGSHWFJION-UHFFFAOYSA-N.
SMILES: CC1=NC(=CC=C1)CCN2CCC(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C.
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