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87255-57-0 | 3,7a-Diazacyclohepta(jk)fluoren-7(1H)-one, 2,3,3a,4,5,6-hexahydro-3,6,6-trimethyl-, (+-)-
CAS No: 87255-57-0 Catalog No: AG004J8D MDL No:
Product Description
Catalog Number:
AG004J8D
Chemical Name:
3,7a-Diazacyclohepta(jk)fluoren-7(1H)-one, 2,3,3a,4,5,6-hexahydro-3,6,6-trimethyl-, (+-)-
CAS Number:
87255-57-0
Molecular Formula:
C18H22N2O
Molecular Weight:
282.3801
IUPAC Name:
4,8,8-trimethyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),11,13,15-tetraen-9-one
InChI:
InChI=1S/C18H22N2O/c1-18(2)10-8-15-16-13(9-11-19(15)3)12-6-4-5-7-14(12)20(16)17(18)21/h4-7,15H,8-11H2,1-3H3
InChI Key:
TXCGQVDBXSSSAF-UHFFFAOYSA-N
SMILES:
CN1CCc2c3C1CCC(C(=O)n3c1c2cccc1)(C)C
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.387g/mol
Monoisotopic Mass:
282.173g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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