Chemical ID: 7140013

Cc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(c(c3)C)C)S2
Chemical ID:
7140013
Name [?]:
2-(3,4-dimethylphenyl)imino-5-(p-tolylmethylene)thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)C=C2C(=O)NC(=Nc3ccc(c(c3)C)C)S2
InChi [?]:
InChI=1/C19H18N2OS/c1-12-4-7-15(8-5-12)11-17-18(22)21-19(23-17)20-16-9-6-13(2)14(3)10-16/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,22,21,3,7,17,4,6,16,20,8,2,18,19,5,15,9,10,13,14,12,11,23/E:(4,5)(7,8)/rA:23nCCCCCCCCCCONCNCCCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s18;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2OS
All Atoms:41
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.4129
Area:529.02
Solvation:-1.81261
Coulombic:-30.2519
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:322.425
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.4
LogP (Chemaxon):5.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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