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189396-17-6 | Methanone, [2-(ethylamino)cyclohepta[b]pyrrol-3-yl]phenyl-
CAS No: 189396-17-6 Catalog No: AG002DMG MDL No:
Product Description
Catalog Number:
AG002DMG
Chemical Name:
Methanone, [2-(ethylamino)cyclohepta[b]pyrrol-3-yl]phenyl-
CAS Number:
189396-17-6
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
IUPAC Name:
[2-(ethylamino)cyclohepta[b]pyrrol-3-yl]-phenylmethanone
InChI:
InChI=1S/C18H16N2O/c1-2-19-18-16(17(21)13-9-5-3-6-10-13)14-11-7-4-8-12-15(14)20-18/h3-12H,2H2,1H3,(H,19,20)
InChI Key:
JGWVJMLTVGAARL-UHFFFAOYSA-N
SMILES:
CCNc1nc2c(c1C(=O)c1ccccc1)ccccc2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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