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28858-10-8 | 5H-Indeno[1,2-d]pyrimidine, 5-phenyl-4-(1-piperidinyl)-
CAS No: 28858-10-8 Catalog No: AG002WUZ MDL No:
Product Description
Catalog Number:
AG002WUZ
Chemical Name:
5H-Indeno[1,2-d]pyrimidine, 5-phenyl-4-(1-piperidinyl)-
CAS Number:
28858-10-8
Molecular Formula:
C22H21N3
Molecular Weight:
327.4222
IUPAC Name:
5-phenyl-4-piperidin-1-yl-5H-indeno[1,2-d]pyrimidine
InChI:
InChI=1S/C22H21N3/c1-3-9-16(10-4-1)19-17-11-5-6-12-18(17)21-20(19)22(24-15-23-21)25-13-7-2-8-14-25/h1,3-6,9-12,15,19H,2,7-8,13-14H2
InChI Key:
LHVVEEICNFUFKR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1c2c(ncnc2c2c1cccc2)N1CCCCC1
NSC Number:
108904
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.174g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.431g/mol
Monoisotopic Mass:
327.174g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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