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Chemical ID: 7143306

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

Chemical ID:

7143306

Name [?]:

N-[4-[5-[(4-allyloxyphenyl)methylene]-4-oxo-thiazol-2-yl]aminophenyl]acetamide

SMILES [?]:

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

InChi [?]:

InChI=1/C21H19N3O3S/c1-3-12-27-18-10-4-15(5-11-18)13-19-20(26)24-21(28-19)23-17-8-6-16(7-9-17)22-14(2)25/h3-11,13H,1,12H2,2H3,(H,22,25)(H,23,24,26)

InChi Info:

AuxInfo=1/1/N:27,1,26,19,23,6,10,7,9,20,22,25,17,2,18,5,8,21,16,14,12,4,11,13,3,15,24,28/E:(4,5)(6,7)(8,9)(10,11)/rA:28nCCONCCCCCCNCNCOCCCCCCCCOCCCS/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;d26;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₉N₃O₃S
All Atoms:	47
Heavy Atoms:	28
Chiral Atoms:	None

ZAP Information [?]

Total:	11.3711
Area:	635.2
Solvation:	-4.50894
Coulombic:	-56.9612

Bond Count [?]

All:	30
Single:	19
Double:	11
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.72
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