Chemical ID: 5277853

Cc1ccc(cc1)N2C(=O)C(SC2=O)Nc3ccc(cc3C)C
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

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Descriptor Annotations

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