Basic information
- Standard SMILES
CCCCCN(CCCCC)C(=O)N1CCN(C(=O)N(c2ccccc2)c2cc(Cl)cc(Cl)c2)[C@H](C(=O)NCCN(C)Cc2ccccc2OC)C1- InChIKey
ZPILMBPPIWBDKV-BHVANESWSA-N- Molecular formula
- C40H54Cl2N6O4
- Average molar mass
- 753.8 g/mol
- Monoisotopic mass
- 752.3583596
Names & identifiers
- Preferred name
- (S)-1-(N-(3,5-Dichlorophenyl)-N-phenylcarbamoyl)-2-(2-(N-methyl-N-(2-methoxybenzyl)amino)ethylaminocarbonyl)-4-(N,N-di-n-pentylcarbamoyl)piperazine
- IUPAC
- (2S)-1-N-(3,5-dichlorophenyl)-2-N-[2-[(2-methoxyphenyl)methyl-methylamino]ethyl]-4-N,4-N-dipentyl-1-N-phenylpiperazine-1,2,4-tricarboxamide
Names & synonyms
SCHEMBL7417540ZPILMBPPIWBDKV-BHVANESWSA-N(S)-1-(N-(3,5-Dichlorophenyl)-N-phenylcarbamoyl)-2-(2-(N-methyl-N-(2-methoxybenzyl)amino)ethylaminocarbonyl)-4-(N,N-di-n-pentylcarbamoyl)piperazine
Database identifiers
- PubChem CID
- 54559192
Properties
Computed structural properties
- XLogP
- 7.9
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
1 records
Compound notes
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