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STK163982,ZINC02982579, N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylph

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摘 要:STK163982,ZINC02982579, N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(2,,3-dimethylphenoxy)acetamide,Canonical SMILES: CC1=C(C(=CC=C1)OCC(=O)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=CC(=C4)Cl)C)C,InChI: InChI=1/C24H21ClN2O3/c1-14-5-4-6-21(16(14)3)29-13-
[Synonyms]
STK163982
ZINC02982579

[Structure]
STK163982,ZINC02982579, N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylph

[ Properties Computed from Structure]
Molecular Weight420.88814 [g/mol]
Molecular FormulaC24H21ClN2O3
XLogP5.3
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count5
Tautomer Count2
Exact Mass420.12407
MonoIsotopic Mass420.12407
Topological Polar Surface Area64.4
Heavy Atom Count30
Formal Charge0
Complexity591
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: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]-2-(2,
3-dimethylphenoxy)acetamide
Canonical SMILES: CC1=C(C(=CC=C1)OCC(=O)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=CC(=C4)Cl)C)C
InChI: InChI=1/C24H21ClN2O3/c1-14-5-4-6-21(16(14)3)29-13-23(28)26-19-11-17(8-7-
15(19)2)24-27-20-12-18(25)9-10-22(20)30-24/h4-12H,13H2,1-3H3,(H,26,
28)/f/h26H

 
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