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Chemical ID: 6467957

Cc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccccc3OCc4ccccc4C#N)S2)C

Chemical ID:

6467957

Name [?]:

2-[[2-[[3-methyl-4-oxo-2-(p-tolylimino)thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzonitrile

SMILES [?]:

Cc1ccc(cc1)N=C2N(C(=O)C(=Cc3ccccc3OCc4ccccc4C#N)S2)C

InChi [?]:

InChI=1/C26H21N3O2S/c1-18-11-13-22(14-12-18)28-26-29(2)25(30)24(32-26)15-19-7-5-6-10-23(19)31-17-21-9-4-3-8-20(21)16-27/h3-15H,17H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,32,26,25,17,18,16,27,24,19,3,7,4,6,14,29,22,2,15,28,23,5,20,13,11,9,30,8,10,12,21,31/E:(11,12)(13,14)/rA:32nCCCCCCCNCNCOCCCCCCCCOCCCCCCCCNSC/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s21;s22;s23;d24;s25;d26;d23s27;s28;t29;s9s13;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₁N₃O₂S
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	13.7062
Area:	672.014
Solvation:	-3.09419
Coulombic:	-38.6236

Bond Count [?]

All:	35
Single:	22
Double:	12
Rotors:	5
Chiral:	2
Rigid Segments:	5

Chemical Properties

Molecular Weight:	439.53
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	5.02
LogP (Chemaxon):	6.4

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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