Chemical ID: 7143361

CCc1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccccc3C(=O)O
Chemical ID:
7143361
Name [?]:
2-[5-[(4-ethylphenyl)methylene]-4-oxo-thiazol-2-yl]aminobenzoic acid
SMILES [?]:
CCc1ccc(cc1)C=C2C(=O)N=C(S2)Nc3ccccc3C(=O)O
InChi [?]:
InChI=1/C19H16N2O3S/c1-2-12-7-9-13(10-8-12)11-16-17(22)21-19(25-16)20-15-6-4-3-5-14(15)18(23)24/h3-11H,2H2,1H3,(H,23,24)(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,21,18,4,8,5,7,9,3,6,22,17,10,11,23,14,16,13,12,24,25,15/E:(7,8)(9,10)(23,24)/rA:25nCCCCCCCCCCCONCSNCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;d13;s10s14;s14;s16;s17;d18;s19;d20;d17s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16N2O3S
All Atoms:41
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:11.5889
Area:556.176
Solvation:-2.31547
Coulombic:-58.8517
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.51
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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