Basic information
- Standard SMILES
NC(=O)c1ccc(Oc2ccc(CN3CCCCC(c4ccccc4)C3)cc2)nc1- InChIKey
VKPADBVGJUNWJC-UHFFFAOYSA-N- Molecular formula
- C25H27N3O2
- Average molar mass
- 401.5 g/mol
Names & identifiers
- Preferred name
- (+/-)-6-[4-(3-Phenyl-azepan-1-ylmethyl)-phenoxy]-nicotinamide
- IUPAC
- 6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide
Names & synonyms
SCHEMBL3699943VKPADBVGJUNWJC-UHFFFAOYSA-N(+/-)-6-[4-(3-Phenyl-azepan-1-ylmethyl)-phenoxy]-nicotinamide
Database identifiers
- PubChem CID
- 59730169
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 528
Related reactions
3 records
Compound notes
Loading…