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Chemical ID: 5062491
Chemical ID:
5062491
Name [?]:
3-(m-tolyl)-5-(1-naphthylamino)thiazolidine-2,4-dione
SMILES [?]:
Cc1cccc(c1)N2C(=O)C(SC2=O)Nc3cccc4c3cccc4
InChi [?]:
InChI=1/C20H16N2O2S/c1-13-6-4-9-15(12-13)22-19(23)18(25-20(22)24)21-17-11-5-8-14-7-2-3-10-16(14)17/h2-12,18,21H,1H3
InChi Info:
AuxInfo=1/0/N:1,24,23,4,18,3,25,19,5,22,17,7,2,20,6,21,16,11,9,13,15,8,10,14,12/rA:25cCCCCCCCNCOCSCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;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: | 10.5591 |
Area: | 538.635 |
Solvation: | -2.90677 |
Coulombic: | -41.9595 |
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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