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Chemical ID: 6394652

Chemical ID:

6394652

Name [?]:

3-hydroxy-N-[(4-propoxyphenyl)methyleneamino]naphthalene-2-carboxamide

SMILES [?]:

CCCOc1ccc(cc1)C=NNC(=O)c2cc3ccccc3cc2O

InChi [?]:

InChI=1/C21H20N2O3/c1-2-11-26-18-9-7-15(8-10-18)14-22-23-21(25)19-12-16-5-3-4-6-17(16)13-20(19)24/h3-10,12-14,24H,2,11H2,1H3,(H,23,25)

InChi Info:

AuxInfo=1/1/N:1,2,20,21,19,22,7,9,6,10,3,17,24,11,8,18,23,5,16,25,14,12,13,26,15,4/E:(7,8)(9,10)/rA:26nCCCOCCCCCCCNNCOCCCCCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s14;s16;d17;s18;d19;s20;d21;s18s22;d23;d16s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₀N₂O₃
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	8.75964
Area:	570.798
Solvation:	-5.5103
Coulombic:	-43.6649

Bond Count [?]

All:	28
Single:	18
Double:	10
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	348.395
H-Bond Donors:	2
H-Bond Acceptors:	5
XLogP:	5.98
LogP (Chemaxon):	5.17

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