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Chemical ID: 6631947

Cc1ccc(cc1)NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc3cccc(c3)Oc4ccccc4

Chemical ID:

6631947

Name [?]:

N'-[(3-phenoxyphenyl)methyleneamino]-N-[2-(p-tolylcarbamoyl)phenyl]-oxamide

SMILES [?]:

Cc1ccc(cc1)NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc3cccc(c3)Oc4ccccc4

InChi [?]:

InChI=1/C29H24N4O4/c1-20-14-16-22(17-15-20)31-27(34)25-12-5-6-13-26(25)32-28(35)29(36)33-30-19-21-8-7-11-24(18-21)37-23-9-3-2-4-10-23/h2-19H,1H3,(H,31,34)(H,32,35)(H,33,36)

InChi Info:

AuxInfo=1/1/N:1,35,34,36,13,14,27,26,33,37,28,12,15,3,7,4,6,30,24,2,25,5,32,29,11,16,9,18,20,23,8,17,22,10,19,21,31/E:(3,4)(9,10)(14,15)(16,17)/rA:37nCCCCCCCNCOCCCCCCNCOCONNCCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;d18;s18;d20;s20;s22;w23;s24;s25;d26;s27;d28;d25s29;s29;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₄N₄O₄
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	13.8817
Area:	746.662
Solvation:	-4.78485
Coulombic:	-75.4805

Bond Count [?]

All:	40
Single:	24
Double:	16
Rotors:	11
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	492.525
H-Bond Donors:	3
H-Bond Acceptors:	8
XLogP:	6.34
LogP (Chemaxon):	5.93

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