Chemical ID: 7140068

Cc1ccc(cc1C)N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2
Chemical ID:
7140068
Name [?]:
5-[(3,4-dihydroxyphenyl)methylene]-2-(3,4-dimethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1C)N=C2NC(=O)C(=Cc3ccc(c(c3)O)O)S2
InChi [?]:
InChI=1/C18H16N2O3S/c1-10-3-5-13(7-11(10)2)19-18-20-17(23)16(24-18)9-12-4-6-14(21)15(22)8-12/h3-9,21-22H,1-2H3,(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,8,3,17,4,18,6,21,15,2,7,16,5,19,20,14,12,10,9,11,23,22,13,24/rA:24nCCCCCCCCNCNCOCCCCCCCCOOS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;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:9.39211
Area:535.5
Solvation:-3.99538
Coulombic:-60.6607
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:3.58
LogP (Chemaxon):4.72

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