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Chemical ID: 7142971

CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccccc3OCc4ccc(cc4)Cl)S2

Chemical ID:

7142971

Name [?]:

N-[4-[5-[[2-[(4-chlorophenyl)methoxy]phenyl]methylene]-4-oxo-thiazol-2-yl]aminophenyl]acetamide

SMILES [?]:

CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccccc3OCc4ccc(cc4)Cl)S2

InChi [?]:

InChI=1/C25H20ClN3O3S/c1-16(30)27-20-10-12-21(13-11-20)28-25-29-24(31)23(33-25)14-18-4-2-3-5-22(18)32-15-17-6-8-19(26)9-7-17/h2-14H,15H2,1H3,(H,27,30)(H,28,29,31)

InChi Info:

AuxInfo=1/1/N:1,20,21,19,22,27,31,28,30,6,10,7,9,17,25,2,26,18,29,5,8,23,16,14,12,32,4,11,13,3,15,24,33/E:(6,7)(8,9)(10,11)(12,13)/rA:33nCCONCCCCCCNCNCOCCCCCCCCOCCCCCCCClS/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;s24;s25;s26;d27;s28;d29;d26s30;s29;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₀ClN₃O₃S
All Atoms:	53
Heavy Atoms:	33
Chiral Atoms:	None

ZAP Information [?]

Total:	13.6171
Area:	730.664
Solvation:	-4.64954
Coulombic:	-57.6628

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.43
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