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Chemical ID: 7027182

c1ccc(cc1)c2csc(n2)NN=Cc3cccc(c3)Oc4ccccc4

Chemical ID:

7027182

Name [?]:

N-[(3-phenoxyphenyl)methyleneamino]-4-phenyl-thiazol-2-amine

SMILES [?]:

c1ccc(cc1)c2csc(n2)NN=Cc3cccc(c3)Oc4ccccc4

InChi [?]:

InChI=1/C22H17N3OS/c1-3-9-18(10-4-1)21-16-27-22(24-21)25-23-15-17-8-7-13-20(14-17)26-19-11-5-2-6-12-19/h1-16H,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,25,2,6,24,26,17,16,3,5,23,27,18,20,14,8,15,4,22,19,7,10,13,11,12,21,9/E:(3,4)(5,6)(9,10)(11,12)/rA:27nCCCCCCCCSCNNNCCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;s7d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₇N₃OS
All Atoms:	44
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	12.1147
Area:	610.72
Solvation:	-3.1533
Coulombic:	-27.4885

Bond Count [?]

All:	30
Single:	18
Double:	12
Rotors:	6
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	371.456
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	6.66
LogP (Chemaxon):	6.58

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