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Chemical ID: 6177125

Chemical ID:

6177125

Name [?]:

N-[(4-ethoxyphenyl)methyleneamino]-4-phenyl-3H-thiazol-2-imine

SMILES [?]:

CCOc1ccc(cc1)C=NN=c2[nH]c(cs2)c3ccccc3

InChi [?]:

InChI=1/C18H17N3OS/c1-2-22-16-10-8-14(9-11-16)12-19-21-18-20-17(13-23-18)15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,2,21,20,22,19,23,6,8,5,9,10,16,7,18,4,15,13,11,14,12,3,17/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCOCCCCCCCNNCNCCSCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;w12;s13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₇N₃OS
All Atoms:	23
Heavy Atoms:	23
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7485
Area:	547.53
Solvation:	-2.93973
Coulombic:	-25.8844

Bond Count [?]

All:	25
Single:	16
Double:	9
Rotors:	5
Chiral:	2
Rigid Segments:	5

Chemical Properties

Molecular Weight:	323.413
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	6.15
LogP (Chemaxon):	3.97

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