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Chemical ID: 7143315
Chemical ID:
7143315
Name [?]:
2-[5-[(4-dimethylaminophenyl)methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
CN(C)c1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccccc3C(=O)O
InChi [?]:
InChI=1/C19H17N3O3S/c1-22(2)13-9-7-12(8-10-13)11-16-17(23)21-19(26-16)20-15-6-4-3-5-14(15)18(24)25/h3-11H,1-2H3,(H,24,25)(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,21,20,22,19,6,8,5,9,10,7,4,23,18,11,12,24,15,17,14,2,13,25,26,16/E:(1,2)(7,8)(9,10)(24,25)/rA:26nCNCCCCCCCCCCONCSNCCCCCCCOO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;d12;s12;d14;s11s15;s15;s17;s18;d19;s20;d21;d18s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17N3O3S |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.5623 |
Area: | 577.397 |
Solvation: | -2.87261 |
Coulombic: | -63.9419 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.82 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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