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Chemical ID: 6625189

CCCCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccccc3

Chemical ID:

6625189

Name [?]:

N-[(4-butoxyphenyl)methyleneamino]-N'-[2-(phenylcarbamoyl)phenyl]-oxamide

SMILES [?]:

CCCCOc1ccc(cc1)C=NNC(=O)C(=O)Nc2ccccc2C(=O)Nc3ccccc3

InChi [?]:

InChI=1/C26H26N4O4/c1-2-3-17-34-21-15-13-19(14-16-21)18-27-30-26(33)25(32)29-23-12-8-7-11-22(23)24(31)28-20-9-5-4-6-10-20/h4-16,18H,2-3,17H2,1H3,(H,28,31)(H,29,32)(H,30,33)

InChi Info:

AuxInfo=1/1/N:1,2,3,32,31,33,23,22,30,34,24,21,8,10,7,11,4,12,9,29,6,25,20,26,17,15,13,28,19,14,27,18,16,5/E:(5,6)(9,10)(13,14)(15,16)/rA:34nCCCCOCCCCCCCNNCOCONCCCCCCCONCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;d17;s17;s19;s20;d21;s22;d23;d20s24;s25;d26;s26;s28;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₆N₄O₄
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	13.2725
Area:	733.004
Solvation:	-5.05259
Coulombic:	-74.8514

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	13
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	458.509
H-Bond Donors:	3
H-Bond Acceptors:	8
XLogP:	5.69
LogP (Chemaxon):	4.99

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

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Chemical Mix	Source	External ID	Descriptor	Value