Chemical ID: 7140003

Cc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3)C)S2
Chemical ID:
7140003
Name [?]:
2-(p-tolylimino)-5-(p-tolylmethylene)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(cc3)C)S2
InChi [?]:
InChI=1/C18H16N2OS/c1-12-3-7-14(8-4-12)11-16-17(21)20-18(22-16)19-15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,3,7,17,19,4,6,16,20,8,2,18,5,15,9,10,13,14,12,11,22/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCCCCCCCCCONCNCCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2OS
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.9325
Area:509.738
Solvation:-1.81091
Coulombic:-30.4612
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:308.399
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.97
LogP (Chemaxon):5.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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