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Chemical ID: 7142977

CCc1ccccc1NC2=NC(=O)C(=Cc3ccccc3OCc4ccc(cc4)Cl)S2

Chemical ID:

7142977

Name [?]:

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

SMILES [?]:

CCc1ccccc1NC2=NC(=O)C(=Cc3ccccc3OCc4ccc(cc4)Cl)S2

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,2,5,18,6,19,4,17,7,20,25,29,26,28,15,23,24,3,16,27,8,21,14,12,10,30,9,11,13,22,31/E:(11,12)(13,14)/rA:31nCCCCCCCCNCNCOCCCCCCCCOCCCCCCCClS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;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:	C₂₅H₂₁ClN₂O₂S
All Atoms:	52
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	14.1204
Area:	695.262
Solvation:	-3.26117
Coulombic:	-40.428

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:	6.29
LogP (Chemaxon):	None

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

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

Chemical Mix	Source	External ID	Descriptor	Value