Basic information
- Standard SMILES
CN1CCN(c2cccc3c2CC(NC(=O)c2ccc(N4CCN(Cc5ccccc5)CC4)cc2)CO3)CC1- InChIKey
CIYFNXYMIRSUPB-UHFFFAOYSA-N- Molecular formula
- C32H39N5O2
- Average molar mass
- 525.7 g/mol
- Monoisotopic mass
- 525.3103755
Names & identifiers
- Preferred name
- 4-(4-benzylpiperazin-1-yl)-N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide
- IUPAC
- 4-(4-benzylpiperazin-1-yl)-N-[5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide
Names & synonyms
SCHEMBL4840083
Database identifiers
- PubChem CID
- 9936670
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 767
Related reactions
2 records
Compound notes
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