Chemical ID: 7142601

Cc1ccc(cc1N2C(=O)C(=C3c4cc(ccc4NC3=O)F)SC2=S)C(=O)O
Chemical ID:
7142601
Name [?]:
3-[5-(5-fluoro-2-oxo-indolin-3-ylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1N2C(=O)C(=C3c4cc(ccc4NC3=O)F)SC2=S)C(=O)O
InChi [?]:
InChI=1/C19H11FN2O4S2/c1-8-2-3-9(18(25)26)6-13(8)22-17(24)15(28-19(22)27)14-11-7-10(20)4-5-12(11)21-16(14)23/h2-7H,1H3,(H,21,23)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,3,4,16,17,6,14,2,5,15,13,18,7,12,11,20,9,26,24,22,19,8,21,10,27,28,25,23/E:(25,26)/rA:28nCCCCCCCNCOCCCCCCCCNCOFSCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s12s19;d20;s15;s11;s8s23;d24;s5;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H11FN2O4S2
All Atoms:39
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:10.3264
Area:574.261
Solvation:-4.03009
Coulombic:-69.2329
Bond Count [?]
All:31
Single:20
Double:11
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.26
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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