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Chemical ID: 7026992

Chemical ID:

7026992

Name [?]:

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

SMILES [?]:

COCCn1c(csc1=Nc2ccccc2)c3ccc(cc3)F

InChi [?]:

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

InChi Info:

AuxInfo=1/0/N:1,14,13,15,12,16,18,22,19,21,4,3,7,17,20,11,6,9,23,10,5,2,8/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCOCCNCCSCNCCCCCCCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;s5s8;w9;s10;s11;d12;s13;d14;d11s15;s6;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₇FN₂OS
All Atoms:	40
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	8.5845
Area:	488.595
Solvation:	-3.63036
Coulombic:	-27.113

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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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value