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Chemical ID: 5628864

Chemical ID:

5628864

Name [?]:

4-(4-chlorophenyl)-N-(2,3-dimethylphenyl)-3-ethyl-thiazol-2-imine

SMILES [?]:

CCn1c(csc1=Nc2cccc(c2C)C)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C19H19ClN2S/c1-4-22-18(15-8-10-16(20)11-9-15)12-23-19(22)21-17-7-5-6-13(2)14(17)3/h5-12H,4H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,16,15,2,11,12,10,18,22,19,21,5,13,14,17,20,9,4,7,23,8,3,6/E:(8,9)(10,11)/rA:23nCCNCCSCNCCCCCCCCCCCCCCCl/rB:s1;s2;s3;d4;s5;s3s6;w7;s8;s9;d10;s11;d12;d9s13;s14;s13;s4;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₉ClN₂S
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2668
Area:	511.583
Solvation:	-1.52279
Coulombic:	-16.108

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	3
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	342.886
H-Bond Donors:	0
H-Bond Acceptors:	1
XLogP:	6.46
LogP (Chemaxon):	6.92

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