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110785-23-4 | Ethanone,2-(4-phenyl-1-piperazinyl)-1-[1,3,4,9-tetrahydro-1-(3-pyridinyl)-2H-pyrido[3,4-b]indol-2-yl]-
CAS No: 110785-23-4 Catalog No: AG0083CL MDL No:
Product Description
Catalog Number:
AG0083CL
Chemical Name:
Ethanone,2-(4-phenyl-1-piperazinyl)-1-[1,3,4,9-tetrahydro-1-(3-pyridinyl)-2H-pyrido[3,4-b]indol-2-yl]-
CAS Number:
110785-23-4
Molecular Formula:
C28H29N5O
Molecular Weight:
451.5628
IUPAC Name:
2-(4-phenylpiperazin-1-yl)-1-(1-pyridin-3-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
InChI:
InChI=1S/C28H29N5O/c34-26(20-31-15-17-32(18-16-31)22-8-2-1-3-9-22)33-14-12-24-23-10-4-5-11-25(23)30-27(24)28(33)21-7-6-13-29-19-21/h1-11,13,19,28,30H,12,14-18,20H2
InChI Key:
LDUINWUBBPJMRQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1c1cccnc1)[nH]c1c2cccc1)CN1CCN(CC1)c1ccccc1
NSC Number:
633397
Properties
Complexity:
688
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.237g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
451.574g/mol
Monoisotopic Mass:
451.237g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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