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Chemical ID: 6632074

CCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)Cl

Chemical ID:

6632074

Name [?]:

N'-[2-[(4-chlorophenyl)carbamoyl]phenyl]-N-[(4-ethoxyphenyl)methyleneamino]oxamide

SMILES [?]:

CCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccc(cc3)Cl

InChi [?]:

InChI=1/C24H21ClN4O4/c1-2-33-19-13-7-16(8-14-19)15-26-29-24(32)23(31)28-21-6-4-3-5-20(21)22(30)27-18-11-9-17(25)10-12-18/h3-15H,2H2,1H3,(H,27,30)(H,28,31)(H,29,32)

InChi Info:

AuxInfo=1/1/N:1,2,21,20,22,19,6,8,29,31,28,32,5,9,10,7,30,27,4,23,18,24,15,13,33,11,26,17,12,25,16,14,3/E:(7,8)(9,10)(11,12)(13,14)/rA:33nCCOCCCCCCCNNCOCONCCCCCCCONCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;d24;s24;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁ClN₄O₄
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	12.8323
Area:	713.94
Solvation:	-5.01622
Coulombic:	-74.0805

Bond Count [?]

All:	35
Single:	22
Double:	13
Rotors:	11
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	464.901
H-Bond Donors:	3
H-Bond Acceptors:	8
XLogP:	5.38
LogP (Chemaxon):	4.64

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value