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Chemical ID: 7143298
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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