4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylic acid-{(R)-1-(3,4-diethyl-benzyl)-2-[4-(4-isopropyl-piperazin-1-yl)-piperidin-1-yl]-2-oxo-ethyl}-amide
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Basic information
- Standard SMILES
CCc1ccc(C[C@@H](NC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCN(C(C)C)CC3)CC2)cc1CC- InChIKey
CUQUFCDVGRFRKE-DIPNUNPCSA-N- Molecular formula
- C40H59N7O3
- Average molar mass
- 685.9 g/mol
- Monoisotopic mass
- 685.46793877
Names & identifiers
- Preferred name
- 4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylic acid-{(R)-1-(3,4-diethyl-benzyl)-2-[4-(4-isopropyl-piperazin-1-yl)-piperidin-1-yl]-2-oxo-ethyl}-amide
- IUPAC
- N-[(2R)-3-(3,4-diethylphenyl)-1-oxo-1-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]propan-2-yl]-4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxamide
Names & synonyms
SCHEMBL3279280CUQUFCDVGRFRKE-DIPNUNPCSA-N4-(2-oxo-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl)-piperidine-1-carboxylic acid-{(R)-1-(3,4-diethyl-benzyl)-2-[4-(4-isopropyl-piperazin-1-yl)-piperidin-1-yl]-2-oxo-ethyl}-amide
Database identifiers
- PubChem CID
- 10439596
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,110
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Related reactions
1 records
Compound notes
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