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Chemical ID: 7142904
Chemical ID:
7142904
Name [?]:
2-[4-oxo-5-(p-tolylmethylene)thiazol-2-yl]aminobenzoic acid
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccccc3C(=O)O
InChi [?]:
InChI=1/C18H14N2O3S/c1-11-6-8-12(9-7-11)10-15-16(21)20-18(24-15)19-14-5-3-2-4-13(14)17(22)23/h2-10H,1H3,(H,22,23)(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,17,3,7,4,6,8,2,5,21,16,9,10,22,13,15,12,11,23,24,14/E:(6,7)(8,9)(22,23)/rA:24nCCCCCCCCCCONCSNCCCCCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;d12;s9s13;s13;s15;s16;d17;s18;d19;d16s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14N2O3S |
All Atoms: | 38 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.0269 |
Area: | 533.856 |
Solvation: | -2.31954 |
Coulombic: | -58.4938 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.05 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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