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Chemical ID: 4130452

Chemical ID:

4130452

Name [?]:

4-ethoxy-N-[(3-ethoxy-4-hydroxy-phenyl)methyleneamino]benzamide

SMILES [?]:

CCOc1ccc(cc1)C(=O)NN=Cc2ccc(c(c2)OCC)O

InChi [?]:

InChI=1/C18H20N2O4/c1-3-23-15-8-6-14(7-9-15)18(22)20-19-12-13-5-10-16(21)17(11-13)24-4-2/h5-12,21H,3-4H2,1-2H3,(H,20,22)

InChi Info:

AuxInfo=1/1/N:1,23,2,22,16,6,8,5,9,17,20,14,15,7,4,18,19,10,13,12,24,11,3,21/E:(6,7)(8,9)/rA:24nCCOCCCCCCCONNCCCCCCCOCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s22;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₀N₂O₄
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	7.33828
Area:	556.974
Solvation:	-6.58608
Coulombic:	-49.7598

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	328.362
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.26
LogP (Chemaxon):	3.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value