Chemical ID: 4105087

Cc1ccc(cc1)c2c(sc(n2)NC(=O)C=Cc3ccccc3)C
Chemical ID:
4105087
Name [?]:
N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-3-phenyl-prop-2-enamide
SMILES [?]:
Cc1ccc(cc1)c2c(sc(n2)NC(=O)C=Cc3ccccc3)C
InChi [?]:
InChI=1/C20H18N2OS/c1-14-8-11-17(12-9-14)19-15(2)24-20(22-19)21-18(23)13-10-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,21,20,22,19,23,3,7,17,4,6,16,2,9,18,5,14,8,11,13,12,15,10/E:(4,5)(6,7)(8,9)(11,12)/rA:24nCCCCCCCCCSCNNCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18N2OS
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.793
Area:540.082
Solvation:-2.70905
Coulombic:-29.4215
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:334.436
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.39
LogP (Chemaxon):5.5

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