Chemical ID: 7142938

CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3cc(ccc3OC)OC)S2
Chemical ID:
7142938
Name [?]:
N-[4-[5-[(2,5-dimethoxyphenyl)methylene]-4-oxo-thiazol-2-yl]aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3cc(ccc3OC)OC)S2
InChi [?]:
InChI=1/C20H19N3O4S/c1-12(24)21-14-4-6-15(7-5-14)22-20-23-19(25)18(28-20)11-13-10-16(26-2)8-9-17(13)27-3/h4-11H,1-3H3,(H,21,24)(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,27,25,6,10,7,9,21,22,19,17,2,18,5,8,20,23,16,14,12,4,11,13,3,15,26,24,28/E:(4,5)(6,7)/rA:28nCCONCCCCCCNCNCOCCCCCCCCOCOCS/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;s20;s26;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19N3O4S
All Atoms:47
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:9.77681
Area:618.674
Solvation:-5.69005
Coulombic:-61.3395
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.02
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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