Chemical ID: 4340510

Cc1ccc(c(c1)C)N2C(=O)C(=Cc3ccccc3C(=O)O)SC2=S
Chemical ID:
4340510
Name [?]:
2-[[3-(2,4-dimethylphenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]benzoic acid
SMILES [?]:
Cc1ccc(c(c1)C)N2C(=O)C(=Cc3ccccc3C(=O)O)SC2=S
InChi [?]:
InChI=1/C19H15NO3S2/c1-11-7-8-15(12(2)9-11)20-17(21)16(25-19(20)24)10-13-5-3-4-6-14(13)18(22)23/h3-10H,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,8,16,17,15,18,3,4,7,13,2,6,14,19,5,12,10,20,24,9,11,21,22,25,23/E:(22,23)/rA:25nCCCCCCCCNCOCCCCCCCCCOOSCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s12;s9s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15NO3S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.4491
Area:548.841
Solvation:-2.27187
Coulombic:-47.8665
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:369.459
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.67
LogP (Chemaxon):4.94

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