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Chemical ID: 7142995

CCOc1ccc(cc1OC)C=C2C(=O)N=C(S2)Nc3ccc(cc3)NC(=O)C

Chemical ID:

7142995

Name [?]:

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

SMILES [?]:

CCOc1ccc(cc1OC)C=C2C(=O)N=C(S2)Nc3ccc(cc3)NC(=O)C

InChi [?]:

InChI=1/C21H21N3O4S/c1-4-28-17-10-5-14(11-18(17)27-3)12-19-20(26)24-21(29-19)23-16-8-6-15(7-9-16)22-13(2)25/h5-12H,4H2,1-3H3,(H,22,25)(H,23,24,26)

InChi Info:

AuxInfo=1/1/N:1,29,11,2,6,22,24,21,25,5,8,12,27,7,23,20,4,9,13,14,17,26,19,16,28,15,10,3,18/E:(6,7)(8,9)/rA:29nCCOCCCCCCOCCCCONCSNCCCCCCNCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;w12;s13;d14;s14;d16;s13s17;s17;s19;s20;d21;s22;d23;d20s24;s23;s26;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₁N₃O₄S
All Atoms:	50
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	9.5221
Area:	648.303
Solvation:	-6.68547
Coulombic:	-61.2852

Bond Count [?]

All:	31
Single:	21
Double:	10
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.17
LogP (Chemaxon):	None

Name Annotations

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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