Chemical ID: 6452745

Cc1cccc(c1)N=C2N(C(=O)C(=Cc3cccc(c3O)OC)S2)c4cccc(c4)C
Chemical ID:
6452745
Name [?]:
5-[(2-hydroxy-3-methoxy-phenyl)methylene]-3-(m-tolyl)-2-(m-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1)N=C2N(C(=O)C(=Cc3cccc(c3O)OC)S2)c4cccc(c4)C
InChi [?]:
InChI=1/C25H22N2O3S/c1-16-7-4-10-19(13-16)26-25-27(20-11-5-8-17(2)14-20)24(29)22(31-25)15-18-9-6-12-21(30-3)23(18)28/h4-15,28H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,23,4,27,17,3,28,16,5,26,18,7,30,14,2,29,15,6,25,19,13,20,11,9,8,10,21,12,22,24/rA:31nCCCCCCCNCNCOCCCCCCCCOOCSCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s19;s22;s9s13;s10;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H22N2O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.5293
Area:594.846
Solvation:-4.34183
Coulombic:-49.4422
Bond Count [?]
All:34
Single:22
Double:12
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:430.52
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.18
LogP (Chemaxon):6.68

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Descriptor Annotations

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