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Chemical ID: 7027243

Chemical ID:

7027243

Name [?]:

N-[(4-ethylphenyl)methyleneamino]-4-(4-methoxyphenyl)-thiazol-2-amine

SMILES [?]:

CCc1ccc(cc1)C=NNc2nc(cs2)c3ccc(cc3)OC

InChi [?]:

InChI=1/C19H19N3OS/c1-3-14-4-6-15(7-5-14)12-20-22-19-21-18(13-24-19)16-8-10-17(23-2)11-9-16/h4-13H,3H2,1-2H3,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,24,2,4,8,5,7,18,22,19,21,9,15,3,6,17,20,14,12,10,13,11,23,16/E:(4,5)(6,7)(8,9)(10,11)/rA:24nCCCCCCCCCNNCNCCSCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₉N₃OS
All Atoms:	43
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	11.0015
Area:	582.586
Solvation:	-3.56321
Coulombic:	-25.5549

Bond Count [?]

All:	26
Single:	17
Double:	9
Rotors:	6
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	337.44
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	5.99
LogP (Chemaxon):	5.76

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