Chemical ID: 7143298

CCOc1cc(ccc1O)C=C2C(=O)N=C(S2)Nc3ccc(cc3)NC(=O)C
Chemical ID:
7143298
Name [?]:
N-[4-[5-[(3-ethoxy-4-hydroxy-phenyl)methylene]-4-oxo-thiazol-2-yl]aminophenyl]acetamide
SMILES [?]:
CCOc1cc(ccc1O)C=C2C(=O)N=C(S2)Nc3ccc(cc3)NC(=O)C
InChi [?]:
InChI=1/C20H19N3O4S/c1-3-27-17-10-13(4-9-16(17)25)11-18-19(26)23-20(28-18)22-15-7-5-14(6-8-15)21-12(2)24/h4-11,25H,3H2,1-2H3,(H,21,24)(H,22,23,26)
InChi Info:
AuxInfo=1/1/N:1,28,2,7,21,23,20,24,8,5,11,26,6,22,19,9,4,12,13,16,25,18,15,27,10,14,3,17/E:(5,6)(7,8)/rA:28nCCOCCCCCCOCCCONCSNCCCCCCNCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s22;s25;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19N3O4S
All Atoms:47
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:9.94192
Area:628.333
Solvation:-5.7664
Coulombic:-70.503
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:2.12
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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