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Home > Fluorides > 1446261-44-4
1446261-44-4 | 5,6,7a,11-Tetraazacyclohepta[def]cyclopenta[a]fluoren-4(7H)-one, 2-fluoro-5,8,9,10,10a,11-hexahydro-10a-methyl-, (10aR)-
CAS No: 1446261-44-4 Catalog No: AG001JVA MDL No:
Product Description
Catalog Number:
AG001JVA
Chemical Name:
5,6,7a,11-Tetraazacyclohepta[def]cyclopenta[a]fluoren-4(7H)-one, 2-fluoro-5,8,9,10,10a,11-hexahydro-10a-methyl-, (10aR)-
CAS Number:
1446261-44-4
Molecular Formula:
C16H15FN4O
Molecular Weight:
298.3149
IUPAC Name:
(2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one
InChI:
InChI=1S/C16H15FN4O/c1-16-3-2-4-21(16)7-11-13-12-9(15(22)20-19-11)5-8(17)6-10(12)18-14(13)16/h5-6,18H,2-4,7H2,1H3,(H,20,22)/t16-/m1/s1
InChI Key:
DENYZIUJOTUUNY-MRXNPFEDSA-N
SMILES:
Fc1cc2[nH]c3c4c2c(c1)c(=O)[nH]nc4CN1[C@]3(C)CCC1
UNII:
8375F9S90C
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
298.123g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.321g/mol
Monoisotopic Mass:
298.123g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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