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Chemical ID: 7143338
Chemical ID:
7143338
Name [?]:
2-(5-cinnamylidene-4-oxo-thiazol-2-yl)aminobenzoic acid
SMILES [?]:
c1ccc(cc1)C=CC=C2C(=O)N=C(S2)Nc3ccccc3C(=O)O
InChi [?]:
InChI=1/C19H14N2O3S/c22-17-16(12-6-9-13-7-2-1-3-8-13)25-19(21-17)20-15-11-5-4-10-14(15)18(23)24/h1-12H,(H,23,24)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,20,19,8,3,5,7,21,18,9,4,22,17,10,11,23,14,16,13,12,24,25,15/E:(2,3)(7,8)(23,24)/rA:25nCCCCCCCCCCCONCSNCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;w9;s10;d11;s11;d13;s10s14;s14;s16;s17;d18;s19;d20;d17s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14N2O3S |
All Atoms: | 39 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.852 |
Area: | 573.715 |
Solvation: | -2.49084 |
Coulombic: | -59.6023 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.1 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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