Chemical ID: 6851701

Cc1c(nc(s1)NC(=O)C=Cc2ccccc2)c3cccc(c3)Cl
Chemical ID:
6851701
Name [?]:
N-[4-(3-chlorophenyl)-5-methyl-thiazol-2-yl]-3-phenyl-prop-2-enamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)C=Cc2ccccc2)c3cccc(c3)Cl
InChi [?]:
InChI=1/C19H15ClN2OS/c1-13-18(15-8-5-9-16(20)12-15)22-19(24-13)21-17(23)11-10-14-6-3-2-4-7-14/h2-12H,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,20,13,17,19,21,11,10,23,2,12,18,22,8,3,5,24,7,4,9,6/E:(3,4)(6,7)/rA:24nCCCNCSNCOCCCCCCCCCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s3;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15ClN2OS
All Atoms:39
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.1936
Area:554.789
Solvation:-2.67614
Coulombic:-29.6881
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:354.854
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.57
LogP (Chemaxon):5.55

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