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89638-33-5 | 8-Quinazolinecarbonitrile, 4-cyclohexyl-1,4-dihydro-6,7-dimethyl-
CAS No: 89638-33-5 Catalog No: AG003WI6 MDL No:
Product Description
Catalog Number:
AG003WI6
Chemical Name:
8-Quinazolinecarbonitrile, 4-cyclohexyl-1,4-dihydro-6,7-dimethyl-
CAS Number:
89638-33-5
Molecular Formula:
C17H21N3
Molecular Weight:
267.3687
IUPAC Name:
4-cyclohexyl-6,7-dimethyl-1,4-dihydroquinazoline-8-carbonitrile
InChI:
InChI=1S/C17H21N3/c1-11-8-14-16(13-6-4-3-5-7-13)19-10-20-17(14)15(9-18)12(11)2/h8,10,13,16H,3-7H2,1-2H3,(H,19,20)
InChI Key:
JMQNNWUPDOFZTJ-UHFFFAOYSA-N
SMILES:
N#Cc1c2NC=NC(c2cc(c1C)C)C1CCCCC1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.174g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.376g/mol
Monoisotopic Mass:
267.174g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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