Chemical ID: 7143347

Cc1ccc(cc1NC2=NC(=O)C(=CC(=Cc3ccccc3)C)S2)C(=O)O
Chemical ID:
7143347
Name [?]:
4-methyl-3-[5-(2-methyl-3-phenyl-prop-2-enylidene)-4-oxo-thiazol-2-yl]amino-benzoic acid
SMILES [?]:
Cc1ccc(cc1NC2=NC(=O)C(=CC(=Cc3ccccc3)C)S2)C(=O)O
InChi [?]:
InChI=1/C21H18N2O3S/c1-13(10-15-6-4-3-5-7-15)11-18-19(24)23-21(27-18)22-17-12-16(20(25)26)9-8-14(17)2/h3-12H,1-2H3,(H,25,26)(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:23,1,20,19,21,18,22,3,4,16,14,6,15,2,17,5,7,13,11,25,9,8,10,12,26,27,24/E:(4,5)(6,7)(25,26)/rA:27nCCCCCCCNCNCOCCCCCCCCCCCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s11;w13;s14;w15;s16;s17;d18;s19;d20;d17s21;s15;s9s13;s5;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18N2O3S
All Atoms:45
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:11.7719
Area:588.742
Solvation:-2.94664
Coulombic:-58.3252
Bond Count [?]
All:29
Single:18
Double:11
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.03
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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