Chemical ID: 6216406

CC(=O)c1c(nc(s1)NC(=O)C=Cc2ccccc2)c3ccccc3
Chemical ID:
6216406
Name [?]:
N-(5-acetyl-4-phenyl-thiazol-2-yl)-3-phenyl-prop-2-enamide
SMILES [?]:
CC(=O)c1c(nc(s1)NC(=O)C=Cc2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C20H16N2O2S/c1-14(23)19-18(16-10-6-3-7-11-16)22-20(25-19)21-17(24)13-12-15-8-4-2-5-9-15/h2-13H,1H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,17,23,16,18,22,24,15,19,21,25,13,12,2,14,20,10,5,4,7,9,6,3,11,8/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCOCCNCSNCOCCCCCCCCCCCCCC/rB:s1;d2;s2;d4;s5;d6;s4s7;s7;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s5;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16N2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.1415
Area:542.868
Solvation:-3.43022
Coulombic:-36.6012
Bond Count [?]
All:27
Single:16
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:348.419
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.53
LogP (Chemaxon):4.09

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