4-(4'-methylbiphenyl-2-carboxamido)-N-methyl-N-[2-[3-(4-methylpiperazin-1-ylcarbonyl)aminoprop-1-yl]phenyl]benzamide
Basic information
- Standard SMILES
Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N(C)c3ccccc3CCCNC(=O)N3CCN(C)CC3)cc2)cc1- InChIKey
BABBFUFBNTZXGX-UHFFFAOYSA-N- Molecular formula
- C37H41N5O3
- Average molar mass
- 603.8 g/mol
Names & identifiers
- Preferred name
- 4-(4'-methylbiphenyl-2-carboxamido)-N-methyl-N-[2-[3-(4-methylpiperazin-1-ylcarbonyl)aminoprop-1-yl]phenyl]benzamide
- IUPAC
- 4-methyl-N-[3-[2-[methyl-[4-[[2-(4-methylphenyl)benzoyl]amino]benzoyl]amino]phenyl]propyl]piperazine-1-carboxamide
Names & synonyms
SCHEMBL7370177BABBFUFBNTZXGX-UHFFFAOYSA-N4-(4'-methylbiphenyl-2-carboxamido)-N-methyl-N-[2-[3-(4-methylpiperazin-1-ylcarbonyl)aminoprop-1-yl]phenyl]benzamide
Database identifiers
- PubChem CID
- 22010562
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 952
Related reactions
2 records
Compound notes
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