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Chemical ID: 6631698

CCOc1ccc(cc1)NC(=O)C(=O)NN=Cc2ccccc2OCc3ccc(cc3)Br

Chemical ID:

6631698

Name [?]:

N'-[[2-[(4-bromophenyl)methoxy]phenyl]methyleneamino]-N-(4-ethoxyphenyl)-oxamide

SMILES [?]:

CCOc1ccc(cc1)NC(=O)C(=O)NN=Cc2ccccc2OCc3ccc(cc3)Br

InChi [?]:

InChI=1/C24H22BrN3O4/c1-2-31-21-13-11-20(12-14-21)27-23(29)24(30)28-26-15-18-5-3-4-6-22(18)32-16-17-7-9-19(25)10-8-17/h3-15H,2,16H2,1H3,(H,27,29)(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,2,20,21,19,22,27,31,28,30,6,8,5,9,17,25,26,18,29,7,4,23,11,13,32,16,10,15,12,14,3,24/E:(7,8)(9,10)(11,12)(13,14)/rA:32nCCOCCCCCCNCOCONNCCCCCCCOCCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s24;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₂BrN₃O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	12.5769
Area:	712.0
Solvation:	-5.22309
Coulombic:	-60.9237

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	11
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	496.353
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	5.79
LogP (Chemaxon):	5.39

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

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

Chemical Mix	Source	External ID	Descriptor	Value