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Oprea1_502953,Oprea1_789199,ZINC03032301,BAS 00272265,2,4-Dichloro-N-[

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摘 要:Oprea1_502953,Oprea1_789199,ZINC03032301,BAS 00272265,2,4-Dichloro-N-[4-(5,7-dimethyl-benzooxazol-2-yl)-phenyl]-benzamide, 2,4-dichloro-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide,Canonical SMILES: CC1=CC(=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=
[Synonyms]
Oprea1_502953
Oprea1_789199
ZINC03032301
BAS 00272265
2,4-Dichloro-N-[4-(5,7-dimethyl-benzooxazol-2-yl)-phenyl]-benzamide

[Structure]
Oprea1_502953,Oprea1_789199,ZINC03032301,BAS 00272265,2,4-Dichloro-N-[

[ Properties Computed from Structure]
Molecular Weight411.28064 [g/mol]
Molecular FormulaC22H16Cl2N2O2
XLogP6
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count3
Tautomer Count4
Exact Mass410.058883
MonoIsotopic Mass410.058883
Topological Polar Surface Area55.1
Heavy Atom Count28
Formal Charge0
Complexity555
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: 2,4-dichloro-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
Canonical SMILES: CC1=CC(=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=O)C4=C(C=C(C=C4)Cl)Cl)C
InChI: InChI=1/C22H16Cl2N2O2/c1-12-9-13(2)20-19(10-12)26-22(28-20)14-3-6-16(7-
4-14)25-21(27)17-8-5-15(23)11-18(17)24/h3-11H,1-2H3,(H,25,27)/f/h25H

 
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