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19701-67-8 | 3,7,8,12b-tetrahydrobenzo[6,7]cyclohepta[1,2,3-de]isoquinoline-2(1h)-carboxamide
CAS No: 19701-67-8 Catalog No: AG0073LP MDL No:
Product Description
Catalog Number:
AG0073LP
Chemical Name:
3,7,8,12b-tetrahydrobenzo[6,7]cyclohepta[1,2,3-de]isoquinoline-2(1h)-carboxamide
CAS Number:
19701-67-8
Molecular Formula:
C18H18N2O
Molecular Weight:
278.3483
IUPAC Name:
16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaene-16-carboxamide
InChI:
InChI=1S/C18H18N2O/c19-18(21)20-10-14-6-3-5-13-9-8-12-4-1-2-7-15(12)16(11-20)17(13)14/h1-7,16H,8-11H2,(H2,19,21)
InChI Key:
SOXFMUXCRCFKMX-UHFFFAOYSA-N
SMILES:
NC(=O)N1Cc2cccc3c2C(C1)c1ccccc1CC3
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.142g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.355g/mol
Monoisotopic Mass:
278.142g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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