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Chemical ID: 6172475

c1cc(ccc1COc2ccc(cc2)C=NNC(=O)C(=O)Nc3ccc(cc3)Br)Cl

Chemical ID:

6172475

Name [?]:

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

SMILES [?]:

c1cc(ccc1COc2ccc(cc2)C=NNC(=O)C(=O)Nc3ccc(cc3)Br)Cl

InChi [?]:

InChI=1/C22H17BrClN3O3/c23-17-5-9-19(10-6-17)26-21(28)22(29)27-25-13-15-3-11-20(12-4-15)30-14-16-1-7-18(24)8-2-16/h1-13H,14H2,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,5,11,13,25,27,2,4,24,28,10,14,15,7,12,6,26,3,23,9,20,18,29,30,16,22,17,21,19,8/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:30nCCCCCCCOCCCCCCCNNCOCONCCCCCCBrCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;w15;s16;s17;d18;s18;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₇BrClN₃O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.9019
Area:	686.842
Solvation:	-4.26915
Coulombic:	-53.979

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	486.746
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	6.07
LogP (Chemaxon):	5.81

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