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Chemical ID: 7026934

Chemical ID:

7026934

Name [?]:

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

SMILES [?]:

CCn1c(csc1=Nc2ccccc2)c3ccc(cc3)F

InChi [?]:

InChI=1/C17H15FN2S/c1-2-20-16(13-8-10-14(18)11-9-13)12-21-17(20)19-15-6-4-3-5-7-15/h3-12H,2H2,1H3

InChi Info:

AuxInfo=1/0/N:1,2,12,11,13,10,14,16,20,17,19,5,15,18,9,4,7,21,8,3,6/E:(4,5)(6,7)(8,9)(10,11)/rA:21nCCNCCSCNCCCCCCCCCCCCF/rB:s1;s2;s3;d4;s5;s3s6;w7;s8;s9;d10;s11;d12;d9s13;s4;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₅FN₂S
All Atoms:	36
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.97983
Area:	454.763
Solvation:	-2.38924
Coulombic:	-19.2408

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	3
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	298.379
H-Bond Donors:	0
H-Bond Acceptors:	1
XLogP:	5.34
LogP (Chemaxon):	5.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value