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Chemical ID: 7026952

Chemical ID:

7026952

Name [?]:

4-(4-methoxyphenyl)-3-pentyl-N-phenyl-thiazol-2-imine

SMILES [?]:

CCCCCn1c(csc1=Nc2ccccc2)c3ccc(cc3)OC

InChi [?]:

InChI=1/C21H24N2OS/c1-3-4-8-15-23-20(17-11-13-19(24-2)14-12-17)16-25-21(23)22-18-9-6-5-7-10-18/h5-7,9-14,16H,3-4,8,15H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,25,2,3,15,14,16,4,13,17,19,23,20,22,5,8,18,12,21,7,10,11,6,24,9/E:(6,7)(9,10)(11,12)(13,14)/rA:25nCCCCCNCCSCNCCCCCCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s6s9;w10;s11;s12;d13;s14;d15;d12s16;s7;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₄N₂OS
All Atoms:	49
Heavy Atoms:	25
Chiral Atoms:	0

ZAP Information [?]

Total:	10.8497
Area:	549.149
Solvation:	-2.87903
Coulombic:	-23.5484

Bond Count [?]

All:	27
Single:	19
Double:	8
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	352.494
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	6.59
LogP (Chemaxon):	6.48

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