Chemical ID: 7136803

Cc1cccc(c1)NC2=NC(=O)C(=Cc3ccccc3C)S2
Chemical ID:
7136803
Name [?]:
2-(m-tolylamino)-5-(o-tolylmethylene)thiazol-4-one
SMILES [?]:
Cc1cccc(c1)NC2=NC(=O)C(=Cc3ccccc3C)S2
InChi [?]:
InChI=1/C18H16N2OS/c1-12-6-5-9-15(10-12)19-18-20-17(21)16(22-18)11-14-8-4-3-7-13(14)2/h3-11H,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,18,17,4,3,19,16,5,7,14,2,20,15,6,13,11,9,8,10,12,22/rA:22nCCCCCCCNCNCOCCCCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s9s13;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2OS
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.7293
Area:506.464
Solvation:-1.9323
Coulombic:-30.7159
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:308.399
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.23
LogP (Chemaxon):5.14

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Descriptor Annotations

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