Basic information
- Standard SMILES
COC(=O)CC1CCC(c2ccc(-c3ncc(Nc4ccccc4)cc3OC)cc2)CC1- InChIKey
MBHICRMTAOCNBQ-UHFFFAOYSA-N- Molecular formula
- C27H30N2O3
- Average molar mass
- 430.5 g/mol
Names & identifiers
- Preferred name
- {4-[4-(3-Methoxy-5-phenylamino-pyridin-2-yl)-phenyl]-cyclohexyl}-acetic acid methyl ester
- IUPAC
- methyl 2-[4-[4-(5-anilino-3-methoxy-2-pyridinyl)phenyl]cyclohexyl]acetate
Names & synonyms
SCHEMBL181139MBHICRMTAOCNBQ-UHFFFAOYSA-N{4-[4-(3-Methoxy-5-phenylamino-pyridin-2-yl)-phenyl]-cyclohexyl}-acetic acid methyl ester
Database identifiers
- PubChem CID
- 66615934
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 563
Related reactions
2 records
Compound notes
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