Chemical ID: 4865479

Cc1ccc(c(c1)C)NC2=NC(=O)C(=CC(=Cc3ccccc3)C)S2
Chemical ID:
4865479
Name [?]:
2-(2,4-dimethylphenyl)amino-5-(2-methyl-3-phenyl-prop-2-enylidene)-thiazol-4-one
SMILES [?]:
Cc1ccc(c(c1)C)NC2=NC(=O)C(=CC(=Cc3ccccc3)C)S2
InChi [?]:
InChI=1/C21H20N2OS/c1-14-9-10-18(16(3)11-14)22-21-23-20(24)19(25-21)13-15(2)12-17-7-5-4-6-8-17/h4-13H,1-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,24,8,21,20,22,19,23,3,4,7,17,15,2,16,6,18,5,14,12,10,9,11,13,25/E:(5,6)(7,8)/rA:25nCCCCCCCCNCNCOCCCCCCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s11;d12;s12;w14;s15;w16;s17;s18;d19;s20;d21;d18s22;s16;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N2OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:12.0925
Area:559.873
Solvation:-1.9043
Coulombic:-31.6865
Bond Count [?]
All:27
Single:17
Double:10
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:348.462
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.85
LogP (Chemaxon):5.82

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Descriptor Annotations

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