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Chemical ID: 7142991

CCc1ccc(cc1)NC2=NC(=O)C(=Cc3cccc(c3)OCc4ccc(cc4)Cl)S2

Chemical ID:

7142991

Name [?]:

5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylene]-2-(4-ethylphenyl)amino-thiazol-4-one

SMILES [?]:

CCc1ccc(cc1)NC2=NC(=O)C(=Cc3cccc(c3)OCc4ccc(cc4)Cl)S2

InChi [?]:

InChI=1/C25H21ClN2O2S/c1-2-17-8-12-21(13-9-17)27-25-28-24(29)23(31-25)15-19-4-3-5-22(14-19)30-16-18-6-10-20(26)11-7-18/h3-15H,2,16H2,1H3,(H,27,28,29)

InChi Info:

AuxInfo=1/1/N:1,2,18,17,19,25,29,4,8,26,28,5,7,21,15,23,3,24,16,27,6,20,14,12,10,30,9,11,13,22,31/E:(6,7)(8,9)(10,11)(12,13)/rA:31nCCCCCCCCNCNCOCCCCCCCCOCCCCCCCClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s23;s24;d25;s26;d27;d24s28;s27;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₁ClN₂O₂S
All Atoms:	52
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	14.1098
Area:	703.796
Solvation:	-3.48512
Coulombic:	-39.8468

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:	6.5
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