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Chemical ID: 7027183

Cc1ccc(cc1)c2csc(n2)NN=Cc3cccc(c3)Oc4ccccc4

Chemical ID:

7027183

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)c2csc(n2)NN=Cc3cccc(c3)Oc4ccccc4

InChi [?]:

InChI=1/C23H19N3OS/c1-17-10-12-19(13-11-17)22-16-28-23(25-22)26-24-15-18-6-5-9-21(14-18)27-20-7-3-2-4-8-20/h2-16H,1H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,26,25,27,18,17,24,28,19,3,7,4,6,21,15,9,2,16,5,23,20,8,11,14,12,13,22,10/E:(3,4)(7,8)(10,11)(12,13)/rA:28nCCCCCCCCCSCNNNCCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₉N₃OS
All Atoms:	47
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	12.606
Area:	630.991
Solvation:	-3.16876
Coulombic:	-27.2378

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	6
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	385.483
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	7.09
LogP (Chemaxon):	7.05

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