Chemical ID: 6215808

CC(C)c1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccccc3
Chemical ID:
6215808
Name [?]:
N-[4-(4-isopropylphenyl)thiazol-2-yl]-3-phenyl-prop-2-enamide
SMILES [?]:
CC(C)c1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccccc3
InChi [?]:
InChI=1/C21H20N2OS/c1-15(2)17-9-11-18(12-10-17)19-14-25-21(22-19)23-20(24)13-8-16-6-4-3-5-7-16/h3-15H,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,23,22,24,21,25,19,5,9,6,8,18,11,2,20,4,7,10,16,13,14,15,17,12/E:(1,2)(4,5)(6,7)(9,10)(11,12)/rA:25nCCCCCCCCCCCSCNNCOCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;w18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N2OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.3572
Area:567.041
Solvation:-2.81888
Coulombic:-29.8713
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:348.462
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.51
LogP (Chemaxon):6.23

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