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Chemical ID: 7143011

CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(cc3)OCc4ccccc4Cl)S2

Chemical ID:

7143011

Name [?]:

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

SMILES [?]:

CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(cc3)OCc4ccccc4Cl)S2

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,28,29,27,30,19,23,6,10,7,9,20,22,17,25,2,18,26,5,8,21,31,16,14,12,32,4,11,13,3,15,24,33/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;s21;s24;s25;s26;d27;s28;d29;d26s30;s31;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	13.7606
Area:	722.97
Solvation:	-4.31366
Coulombic:	-57.8057

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