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Chemical ID: 6963687

Chemical ID:

6963687

Name [?]:

2-(4-ethoxyphenyl)amino-N-(2-naphthylmethyleneamino)acetamide

SMILES [?]:

CCOc1ccc(cc1)NCC(=O)NN=Cc2ccc3ccccc3c2

InChi [?]:

InChI=1/C21H21N3O2/c1-2-26-20-11-9-19(10-12-20)22-15-21(25)24-23-14-16-7-8-17-5-3-4-6-18(17)13-16/h3-14,22H,2,15H2,1H3,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,2,22,23,21,24,18,19,6,8,5,9,26,16,11,17,20,25,7,4,12,10,15,14,13,3/E:(9,10)(11,12)/rA:26nCCOCCCCCCNCCONNCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;s20;d21;s22;d23;d20s24;d17s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₁N₃O₂
All Atoms:	47
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	9.73295
Area:	606.087
Solvation:	-5.41921
Coulombic:	-38.8156

Bond Count [?]

All:	28
Single:	18
Double:	10
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	347.41
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.01
LogP (Chemaxon):	3.94

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value