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Chemical ID: 5791713

CCOc1ccccc1NC(=O)C(=O)NN=Cc2ccc(cc2)OCc3ccccc3

Chemical ID:

5791713

Name [?]:

N'-[(4-benzyloxyphenyl)methyleneamino]-N-(2-ethoxyphenyl)-oxamide

SMILES [?]:

CCOc1ccccc1NC(=O)C(=O)NN=Cc2ccc(cc2)OCc3ccccc3

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,2,29,28,30,7,6,27,31,8,5,19,23,20,22,17,25,18,26,21,9,4,11,13,16,10,15,12,14,3,24/E:(4,5)(8,9)(12,13)(14,15)/rA:31nCCOCCCCCCNCOCONNCCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s21;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:	11.7014
Area:	680.735
Solvation:	-5.31692
Coulombic:	-61.5706

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	11
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	417.457
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	4.99
LogP (Chemaxon):	4.59

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