Chemical ID: 4597543

Cc1ccc(cc1)N2C(=O)C(SC2=O)Nc3cccc4c3cccc4
Chemical ID:
4597543
Name [?]:
5-(1-naphthylamino)-3-(p-tolyl)thiazolidine-2,4-dione
SMILES [?]:
Cc1ccc(cc1)N2C(=O)C(SC2=O)Nc3cccc4c3cccc4
InChi [?]:
InChI=1/C20H16N2O2S/c1-13-9-11-15(12-10-13)22-19(23)18(25-20(22)24)21-17-8-4-6-14-5-2-3-7-16(14)17/h2-12,18,21H,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,18,25,19,22,17,3,7,4,6,2,20,5,21,16,11,9,13,15,8,10,14,12/E:(9,10)(11,12)/rA:25cCCCCCCCNCOCSCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s8s12;d13;s11;s15;s16;d17;s18;d19;d16s20;s21;d22;s23;s20d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16N2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.5217
Area:537.771
Solvation:-2.92255
Coulombic:-41.9336
Bond Count [?]
All:28
Single:18
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:348.419
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.54
LogP (Chemaxon):4.96

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Descriptor Annotations

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