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Chemical ID: 6414456

Cc1cccc(c1NC(=O)C(=O)NN=Cc2ccccc2OCc3ccccc3Cl)C

Chemical ID:

6414456

Name [?]:

N'-[[2-[(2-chlorophenyl)methoxy]phenyl]methyleneamino]-N-(2,6-dimethylphenyl)-oxamide

SMILES [?]:

Cc1cccc(c1NC(=O)C(=O)NN=Cc2ccccc2OCc3ccccc3Cl)C

InChi [?]:

InChI=1/C24H22ClN3O3/c1-16-8-7-9-17(2)22(16)27-23(29)24(30)28-26-14-18-10-4-6-13-21(18)31-15-19-11-3-5-12-20(19)25/h3-14H,15H2,1-2H3,(H,27,29)(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,31,26,18,27,19,4,3,5,17,25,28,20,15,23,2,6,16,24,29,21,7,9,11,30,14,8,13,10,12,22/E:(1,2)(8,9)(16,17)/rA:31nCCCCCCCNCOCONNCCCCCCCOCCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s23;s24;d25;s26;d27;d24s28;s29;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₂ClN₃O₃
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	13.258
Area:	684.763
Solvation:	-3.86112
Coulombic:	-54.8792

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	435.903
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.72
LogP (Chemaxon):	4.66

Name Annotations

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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