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81262-72-8 | 1-(((3,4-DIHYDRO-3-(4-METHOXYPHENYL)-4-OXO-2-QUINAZOLINYL)THIO)ACETYL) -4-PHENYLPIPERAZINE
CAS No: 81262-72-8 Catalog No: AG004Z4K MDL No:
Product Description
Catalog Number:
AG004Z4K
Chemical Name:
1-(((3,4-DIHYDRO-3-(4-METHOXYPHENYL)-4-OXO-2-QUINAZOLINYL)THIO)ACETYL) -4-PHENYLPIPERAZINE
CAS Number:
81262-72-8
Molecular Formula:
C27H26N4O3S
Molecular Weight:
486.5853
IUPAC Name:
3-(4-methoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-4-one
InChI:
InChI=1S/C27H26N4O3S/c1-34-22-13-11-21(12-14-22)31-26(33)23-9-5-6-10-24(23)28-27(31)35-19-25(32)30-17-15-29(16-18-30)20-7-3-2-4-8-20/h2-14H,15-19H2,1H3
InChI Key:
WOUQNIQPFBRTIB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1c(SCC(=O)N2CCN(CC2)c2ccccc2)nc2c(c1=O)cccc2
Properties
Complexity:
770
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.173g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
486.59g/mol
Monoisotopic Mass:
486.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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