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Chemical ID: 7143013
Chemical ID:
7143013
Name [?]:
3-[5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylene]-4-oxo-thiazol-2-yl]amino-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1NC2=NC(=O)C(=Cc3ccc(cc3)OCc4ccccc4Cl)S2)C(=O)O
InChi [?]:
InChI=1/C25H19ClN2O4S/c1-15-6-9-17(24(30)31)13-21(15)27-25-28-23(29)22(33-25)12-16-7-10-19(11-8-16)32-14-18-4-2-3-5-20(18)26/h2-13H,14H2,1H3,(H,30,31)(H,27,28,29)
InChi Info:
AuxInfo=1/1/N:1,25,26,24,27,3,16,20,4,17,19,14,6,22,2,15,5,23,18,28,7,13,11,31,9,29,8,10,12,32,33,21,30/E:(7,8)(10,11)(30,31)/rA:33nCCCCCCCNCNCOCCCCCCCCOCCCCCCCClSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s18;s21;s22;s23;d24;s25;d26;d23s27;s28;s9s13;s5;d31;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H19ClN2O4S |
All Atoms: | 52 |
Heavy Atoms: | 33 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.6475 |
Area: | 707.272 |
Solvation: | -4.03427 |
Coulombic: | -66.5055 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.44 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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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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