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Chemical ID: 5277853
Chemical ID:
5277853
Name [?]:
5-(2,4-dimethylphenyl)amino-3-(p-tolyl)thiazolidine-2,4-dione
SMILES [?]:
Cc1ccc(cc1)N2C(=O)C(SC2=O)Nc3ccc(cc3C)C
InChi [?]:
InChI=1/C18H18N2O2S/c1-11-4-7-14(8-5-11)20-17(21)16(23-18(20)22)19-15-9-6-12(2)10-13(15)3/h4-10,16,19H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,22,3,7,18,4,6,17,20,2,19,21,5,16,11,9,13,15,8,10,14,12/E:(4,5)(7,8)/rA:23cCCCCCCCNCOCSCONCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s8s12;d13;s11;s15;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H18N2O2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.4126 |
Area: | 524.622 |
Solvation: | -2.70293 |
Coulombic: | -40.6905 |
Bond Count [?]
All: | 25 |
Single: | 17 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 326.414 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.93 |
LogP (Chemaxon): | 4.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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