Pyrocurin
Basic information
- CAS
87916-17-4- Standard SMILES
Cl.Cl.O=C(NCCCN1CCCC1)C1C(c2ccccc2)C(C(=O)NCCCN2CCCC2)C1c1ccccc1- InChIKey
DPLPHBCYKJJQEE-UHFFFAOYSA-N- Molecular formula
- C32H46Cl2N4O2
- Average molar mass
- 589.6 g/mol
- Monoisotopic mass
- 588.2997821
Names & identifiers
- Preferred name
- Pyrocurin
- IUPAC
- 2,4-diphenyl-1-N,3-N-bis(3-pyrrolidin-1-ylpropyl)cyclobutane-1,3-dicarboxamide;dihydrochloride
- English name
- pyrocurin
- Molecular formula
- C32H46Cl2N4O2
- Molecular weight
- 589.63924
Names & synonyms
PyrocurinPyrocurine87916-17-4RefChem:177815SCHEMBL30287973DTXSID8010078572,4-diphenyl-1-N,3-N-bis(3-pyrrolidin-1-ylpropyl)cyclobutane-1,3-dicarboxamide;dihydrochloride2,4-Diphenyl-N~1~,N~3~-bis[3-(pyrrolidin-1-yl)propyl]cyclobutane-1,3-dicarboximidic acid--hydrogen chloride (1/2)
Database identifiers
- CAS
87916-17-4- PubChem CID
- 3086261
- DTXSID
DTXSID801007857
Properties
Computed structural properties
- Topological polar surface area
- 64.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 662
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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