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Chemical ID: 7142959

CCc1ccc(cc1)NC2=NC(=O)C(=Cc3ccccc3OCc4ccc(cc4)C)S2

Chemical ID:

7142959

Name [?]:

2-(4-ethylphenyl)amino-5-[[2-(p-tolylmethoxy)phenyl]methylene]thiazol-4-one

SMILES [?]:

CCc1ccc(cc1)NC2=NC(=O)C(=Cc3ccccc3OCc4ccc(cc4)C)S2

InChi [?]:

InChI=1/C26H24N2O2S/c1-3-19-12-14-22(15-13-19)27-26-28-25(29)24(31-26)16-21-6-4-5-7-23(21)30-17-20-10-8-18(2)9-11-20/h4-16H,3,17H2,1-2H3,(H,27,28,29)

InChi Info:

AuxInfo=1/1/N:1,30,2,18,19,17,20,26,28,25,29,4,8,5,7,15,23,27,3,24,16,6,21,14,12,10,9,11,13,22,31/E:(8,9)(10,11)(12,13)(14,15)/rA:31nCCCCCCCCNCNCOCCCCCCCCOCCCCCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s23;s24;d25;s26;d27;d24s28;s27;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₄N₂O₂S
All Atoms:	55
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	13.8537
Area:	689.251
Solvation:	-3.37755
Coulombic:	-39.8693

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.32
LogP (Chemaxon):	None

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value