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Chemical ID: 6631919

Cc1ccc(cc1)NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc3ccc(cc3)N(C)C

Chemical ID:

6631919

Name [?]:

N'-[(4-dimethylaminophenyl)methyleneamino]-N-[2-(p-tolylcarbamoyl)phenyl]-oxamide

SMILES [?]:

Cc1ccc(cc1)NC(=O)c2ccccc2NC(=O)C(=O)NN=Cc3ccc(cc3)N(C)C

InChi [?]:

InChI=1/C25H25N5O3/c1-17-8-12-19(13-9-17)27-23(31)21-6-4-5-7-22(21)28-24(32)25(33)29-26-16-18-10-14-20(15-11-18)30(2)3/h4-16H,1-3H3,(H,27,31)(H,28,32)(H,29,33)

InChi Info:

AuxInfo=1/1/N:1,32,33,13,14,12,15,3,7,26,30,4,6,27,29,24,2,25,5,28,11,16,9,18,20,23,8,17,22,31,10,19,21/E:(2,3)(8,9)(10,11)(12,13)(14,15)/rA:33nCCCCCCCNCOCCCCCCNCOCONNCCCCCCCNCC/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;s28;s31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₅N₅O₃
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	13.0855
Area:	699.004
Solvation:	-4.38959
Coulombic:	-72.4855

Bond Count [?]

All:	35
Single:	22
Double:	13
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	443.498
H-Bond Donors:	3
H-Bond Acceptors:	8
XLogP:	5.07
LogP (Chemaxon):	4.77

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