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142282-86-8 | 5H-Pyrimido[5,4-b]indole, 6,7,8,9-tetrahydro-2-phenyl-
CAS No: 142282-86-8 Catalog No: AG001I4H MDL No:
Product Description
Catalog Number:
AG001I4H
Chemical Name:
5H-Pyrimido[5,4-b]indole, 6,7,8,9-tetrahydro-2-phenyl-
CAS Number:
142282-86-8
Molecular Formula:
C16H15N3
Molecular Weight:
249.3104
IUPAC Name:
2-phenyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-b]indole
InChI:
InChI=1S/C16H15N3/c1-2-6-11(7-3-1)16-17-10-14-15(19-16)12-8-4-5-9-13(12)18-14/h1-3,6-7,10,18H,4-5,8-9H2
InChI Key:
SNSULSATLPSVAT-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ncc2c(n1)c1CCCCc1[nH]2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.317g/mol
Monoisotopic Mass:
249.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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