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Chemical ID: 7142995
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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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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