Chemical ID: 6497606

Cc1cccc(c1)N=C2NC(=O)C(=Cc3ccccc3)S2
Chemical ID:
6497606
Name [?]:
5-benzylidene-2-(m-tolylimino)thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1)N=C2NC(=O)C(=Cc3ccccc3)S2
InChi [?]:
InChI=1/C17H14N2OS/c1-12-6-5-9-14(10-12)18-17-19-16(20)15(21-17)11-13-7-3-2-4-8-13/h2-11H,1H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,4,3,16,20,5,7,14,2,15,6,13,11,9,8,10,12,21/E:(3,4)(7,8)/rA:21nCCCCCCCNCNCOCCCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.3219
Area:487.651
Solvation:-1.86939
Coulombic:-30.4541
Bond Count [?]
All:23
Single:14
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:294.372
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.53
LogP (Chemaxon):4.82

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Descriptor Annotations

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