Chemical ID: 7151823

c1ccc(cc1)N2C(=O)C(=Cc3cccc(c3)OCC(=O)O)SC2=S
Chemical ID:
7151823
Name [?]:
2-[3-[(4-oxo-3-phenyl-2-thioxo-thiazolidin-5-ylidene)methyl]phenoxy]acetic acid
SMILES [?]:
c1ccc(cc1)N2C(=O)C(=Cc3cccc(c3)OCC(=O)O)SC2=S
InChi [?]:
InChI=1/C18H13NO4S2/c20-16(21)11-23-14-8-4-5-12(9-14)10-15-17(22)19(18(24)25-15)13-6-2-1-3-7-13/h1-10H,11H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,14,13,3,5,15,17,11,19,12,4,16,10,20,8,24,7,21,22,9,18,25,23/E:(2,3)(6,7)(20,21)/rA:25nCCCCCCNCOCCCCCCCCOCCOOSCS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s16;s18;s19;d20;s20;s10;s7s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13NO4S2
All Atoms:38
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.80219
Area:567.302
Solvation:-4.38036
Coulombic:-53.8868
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:371.432
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.69
LogP (Chemaxon):3.78

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