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Home > Indoles and Oxindole > 87519-66-2
87519-66-2 | Thieno[2,3-g]indolizin-7(5H)-one, 4,8,9,9a-tetrahydro-4-phenyl-, cis-
CAS No: 87519-66-2 Catalog No: AG004DJ9 MDL No:
Product Description
Catalog Number:
AG004DJ9
Chemical Name:
Thieno[2,3-g]indolizin-7(5H)-one, 4,8,9,9a-tetrahydro-4-phenyl-, cis-
CAS Number:
87519-66-2
Molecular Formula:
C16H15NOS
Molecular Weight:
269.3614
IUPAC Name:
(4R,9aS)-4-phenyl-5,8,9,9a-tetrahydro-4H-thieno[2,3-g]indolizin-7-one
InChI:
InChI=1S/C16H15NOS/c18-15-7-6-14-12-8-9-19-16(12)13(10-17(14)15)11-4-2-1-3-5-11/h1-5,8-9,13-14H,6-7,10H2/t13-,14-/m0/s1
InChI Key:
VGEWDHBQNKMNDK-KBPBESRZSA-N
SMILES:
O=C1CC[C@@H]2N1C[C@@H](c1ccccc1)c1c2ccs1
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
269.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.362g/mol
Monoisotopic Mass:
269.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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