Chemical ID: 7140066

Cc1cccc(c1C)N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2
Chemical ID:
7140066
Name [?]:
5-[(3,4-dihydroxyphenyl)methylene]-2-(2,3-dimethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1C)N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2
InChi [?]:
InChI=1/C18H16N2O3S/c1-10-4-3-5-13(11(10)2)19-18-20-17(23)16(24-18)9-12-6-7-14(21)15(22)8-12/h3-9,21-22H,1-2H3,(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,8,4,3,5,17,18,21,15,2,7,16,6,19,20,14,12,10,9,11,23,22,13,24/rA:24nCCCCCCCCNCNCOCCCCCCCCOOS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O3S
All Atoms:40
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.47542
Area:537.038
Solvation:-3.95052
Coulombic:-60.8881
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:340.397
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.37
LogP (Chemaxon):4.72

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