Chemical ID: 7144844

Cc1ccc(cc1N2C(=O)C(=Cc3ccc(cc3)C=O)SC2=S)C(=O)O
Chemical ID:
7144844
Name [?]:
3-[5-[(4-formylphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1N2C(=O)C(=Cc3ccc(cc3)C=O)SC2=S)C(=O)O
InChi [?]:
InChI=1/C19H13NO4S2/c1-11-2-7-14(18(23)24)9-15(11)20-17(22)16(26-19(20)25)8-12-3-5-13(10-21)6-4-12/h2-10H,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,14,18,15,17,4,12,6,19,2,13,16,5,7,11,9,24,22,8,20,10,25,26,23,21/E:(3,4)(5,6)(23,24)/rA:26nCCCCCCCNCOCCCCCCCCCOSCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s16;d19;s11;s8s21;d22;s5;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H13NO4S2
All Atoms:39
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.5935
Area:579.785
Solvation:-3.9011
Coulombic:-53.8259
Bond Count [?]
All:28
Single:17
Double:11
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:383.443
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.93
LogP (Chemaxon):4.15

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Descriptor Annotations

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