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Chemical ID: 7020990

Chemical ID:

7020990

Name [?]:

N-[2-[(3-ethoxy-4-hydroxy-phenyl)methyleneaminocarbamoyl]ethyl]benzamide

SMILES [?]:

CCOc1cc(ccc1O)C=NNC(=O)CCNC(=O)c2ccccc2

InChi [?]:

InChI=1/C19H21N3O4/c1-2-26-17-12-14(8-9-16(17)23)13-21-22-18(24)10-11-20-19(25)15-6-4-3-5-7-15/h3-9,12-13,23H,2,10-11H2,1H3,(H,20,25)(H,22,24)

InChi Info:

AuxInfo=1/1/N:1,2,24,23,25,22,26,7,8,16,17,5,11,6,21,9,4,14,19,18,12,13,10,15,20,3/E:(4,5)(6,7)/rA:26nCCOCCCCCCOCNNCOCCNCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;s13;d14;s14;s16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₁N₃O₄
All Atoms:	47
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	8.36246
Area:	623.779
Solvation:	-7.23202
Coulombic:	-62.4875

Bond Count [?]

All:	27
Single:	18
Double:	9
Rotors:	10
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	355.388
H-Bond Donors:	3
H-Bond Acceptors:	7
XLogP:	3.26
LogP (Chemaxon):	2.15

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