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ZINC00922179,ASN 04362863,2-(6-Ethyl-2-m-tolyl-quinazolin-4-ylsulfanyl

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摘 要:ZINC00922179,ASN 04362863,2-(6-Ethyl-2-m-tolyl-quinazolin-4-ylsulfanyl)-1-morpholin-4-yl-ethanone, 2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanyl-1-morpholin-4-,ylethanone,Canonical SMILES: CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)N3CCOCC3)C4=CC(=CC=C4)
[Synonyms]
ZINC00922179
ASN 04362863
2-(6-Ethyl-2-m-tolyl-quinazolin-4-ylsulfanyl)-1-morpholin-4-yl-ethanone

[Structure]
ZINC00922179,ASN 04362863,2-(6-Ethyl-2-m-tolyl-quinazolin-4-ylsulfanyl

[ Properties Computed from Structure]
Molecular Weight407.5285 [g/mol]
Molecular FormulaC23H25N3O2S
XLogP3.9
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count5
Exact Mass407.166748
MonoIsotopic Mass407.166748
Topological Polar Surface Area55.3
Heavy Atom Count29
Formal Charge0
Complexity542
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-[6-ethyl-2-(3-methylphenyl)quinazolin-4-yl]sulfanyl-1-morpholin-4-
ylethanone
Canonical SMILES: CCC1=CC2=C(C=C1)N=C(N=C2SCC(=O)N3CCOCC3)C4=CC(=CC=C4)C
InChI: InChI=1/C23H25N3O2S/c1-3-17-7-8-20-19(14-17)23(29-15-21(27)26-9-11-28-
12-10-26)25-22(24-20)18-6-4-5-16(2)13-18/h4-8,13-14H,3,9-12,15H2,1-2H3

 
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