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Chemical ID: 7143051

CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=C3C(=O)N=C(S3)Nc4ccc(cc4)NC(=O)C

Chemical ID:

7143051

Name [?]:

N-[4-[5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methylene]-4-oxo-thiazol-2-yl]aminophenyl]acetamide

SMILES [?]:

CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=C3C(=O)N=C(S3)Nc4ccc(cc4)NC(=O)C

InChi [?]:

InChI=1/C27H24ClN3O4S/c1-3-34-24-14-19(6-13-23(24)35-16-18-4-7-20(28)8-5-18)15-25-26(33)31-27(36-25)30-22-11-9-21(10-12-22)29-17(2)32/h4-15H,3,16H2,1-2H3,(H,29,32)(H,30,31,33)

InChi Info:

AuxInfo=1/1/N:1,36,2,13,17,7,14,16,29,31,28,32,8,5,19,11,34,12,6,15,30,27,9,4,20,21,24,18,33,26,23,35,22,3,10,25/E:(4,5)(7,8)(9,10)(11,12)/rA:36nCCOCCCCCCOCCCCCCCClCCCONCSNCCCCCCNCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;w19;s20;d21;s21;d23;s20s24;s24;s26;s27;d28;s29;d30;d27s31;s30;s33;d34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₄ClN₃O₄S
All Atoms:	60
Heavy Atoms:	36
Chiral Atoms:	None

ZAP Information [?]

Total:	12.883
Area:	794.317
Solvation:	-6.97496
Coulombic:	-63.4606

Bond Count [?]

All:	39
Single:	26
Double:	13
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.5
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