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Chemical ID: 6632557

COc1ccc(cc1OC)C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC3CCCCC3

Chemical ID:

6632557

Name [?]:

N'-[2-(cyclohexylcarbamoyl)phenyl]-N-[(3,4-dimethoxyphenyl)methyleneamino]oxamide

SMILES [?]:

COc1ccc(cc1OC)C=NNC(=O)C(=O)Nc2ccccc2C(=O)NC3CCCCC3

InChi [?]:

InChI=1/C24H28N4O5/c1-32-20-13-12-16(14-21(20)33-2)15-25-28-24(31)23(30)27-19-11-7-6-10-18(19)22(29)26-17-8-4-3-5-9-17/h6-7,10-15,17H,3-5,8-9H2,1-2H3,(H,26,29)(H,27,30)(H,28,31)

InChi Info:

AuxInfo=1/1/N:1,10,31,30,32,22,21,29,33,23,20,5,4,7,11,6,28,24,19,3,8,25,16,14,12,27,18,13,26,17,15,2,9/E:(4,5)(8,9)/rA:33nCOCCCCCCOCCNNCOCONCCCCCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s14;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;d25;s25;s27;s28;s29;s30;s31;s28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₈N₄O₅
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4947
Area:	700.695
Solvation:	-7.02264
Coulombic:	-80.1075

Bond Count [?]

All:	35
Single:	25
Double:	10
Rotors:	11
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	452.503
H-Bond Donors:	3
H-Bond Acceptors:	9
XLogP:	4.25
LogP (Chemaxon):	3.61

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