Borreverine

Borreverine
Compound Structure:
Synonyms: Borreverine;N-methyl-2-[2-[(1S,9R,10S,15R,16R)-12,14,14,19-tetramethyl-8,19-diazapentacyclo[7.7.3.01,9.02,7.010,15]nonadeca-2,4,6,11-tetraen-16-yl]-1H-indol-3-yl]ethanamine
Compound ID: NMPC-687
PubChem ID:

442020
Molecular Formula: C32H40N4
Canonical SMILES: CC1=CC2C(C(C34C2(NC5=CC=CC=C53)N(CC4)C)C6=C(C7=CC=CC=C7N6)CCNC)C(C1)(C)C
InChIKey: PHMBUGRSZKDHNS-QGEDZZHQSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

480.7 g/mol

XLogP3-AA

5.7

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

3

Rotatable Bond Count

4

Exact Mass

480.32529729 g/mol

Monoisotopic Mass

480.32529729 g/mol

Topological Polar Surface Area

43.1Ų

Heavy Atom Count

36

Formal Charge

0

Complexity

897

Isotope Atom Count

0

Defined Atom Stereocenter Count

5

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Source: PubChem                                                                                             
Source Species: Borreria verticillata.
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