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Chemical ID: 6452745
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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