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Chemical ID: 6647044

Cc1cccc(c1)NC(=O)C(=O)NN=Cc2ccc(c(c2)OC)OCc3ccccc3

Chemical ID:

6647044

Name [?]:

N'-[(4-benzyloxy-3-methoxy-phenyl)methyleneamino]-N-(m-tolyl)oxamide

SMILES [?]:

Cc1cccc(c1)NC(=O)C(=O)NN=Cc2ccc(c(c2)OC)OCc3ccccc3

InChi [?]:

InChI=1/C24H23N3O4/c1-17-7-6-10-20(13-17)26-23(28)24(29)27-25-15-19-11-12-21(22(14-19)30-2)31-16-18-8-4-3-5-9-18/h3-15H,16H2,1-2H3,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,23,29,28,30,4,3,27,31,5,17,18,7,21,15,25,2,26,16,6,19,20,9,11,14,8,13,10,12,22,24/E:(4,5)(8,9)/rA:31nCCCCCCCNCOCONNCCCCCCCOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;s25;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃N₃O₄
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3707
Area:	679.596
Solvation:	-6.61919
Coulombic:	-59.8156

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	417.457
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	4.73
LogP (Chemaxon):	4.72

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