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88268-03-5 | Quinazoline, 5,6,7,8-tetrahydro-2-[4-(phenylmethyl)-1-piperazinyl]-
CAS No: 88268-03-5 Catalog No: AG004BK7 MDL No:
Product Description
Catalog Number:
AG004BK7
Chemical Name:
Quinazoline, 5,6,7,8-tetrahydro-2-[4-(phenylmethyl)-1-piperazinyl]-
CAS Number:
88268-03-5
Molecular Formula:
C19H24N4
Molecular Weight:
308.4207
IUPAC Name:
2-(4-benzylpiperazin-1-yl)-5,6,7,8-tetrahydroquinazoline
InChI:
InChI=1S/C19H24N4/c1-2-6-16(7-3-1)15-22-10-12-23(13-11-22)19-20-14-17-8-4-5-9-18(17)21-19/h1-3,6-7,14H,4-5,8-13,15H2
InChI Key:
VSRUHHDTPDRVTD-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CN1CCN(CC1)c1ncc2c(n1)CCCC2
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.2g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.429g/mol
Monoisotopic Mass:
308.2g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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