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Chemical ID: 6514891

Chemical ID:

6514891

Name [?]:

N-(4-fluorophenyl)-3-(2-methoxyethyl)-4-phenyl-thiazol-2-imine

SMILES [?]:

COCCn1c(csc1=Nc2ccc(cc2)F)c3ccccc3

InChi [?]:

InChI=1/C18H17FN2OS/c1-22-12-11-21-17(14-5-3-2-4-6-14)13-23-18(21)20-16-9-7-15(19)8-10-16/h2-10,13H,11-12H2,1H3

InChi Info:

AuxInfo=1/0/N:1,21,20,22,19,23,13,15,12,16,4,3,7,18,14,11,6,9,17,10,5,2,8/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCOCCNCCSCNCCCCCCFCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s5s8;w9;s10;s11;d12;s13;d14;d11s15;s14;s6;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₇FN₂OS
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.43604
Area:	479.222
Solvation:	-3.54451
Coulombic:	-26.9007

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	5
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	328.405
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.72
LogP (Chemaxon):	5.1

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