Chemical ID: 6851700

Cc1c(nc(s1)NC(=O)C=Cc2ccc(cc2)OC)c3cccc(c3)Cl
Chemical ID:
6851700
Name [?]:
N-[4-(3-chlorophenyl)-5-methyl-thiazol-2-yl]-3-(4-methoxyphenyl)-prop-2-enamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)C=Cc2ccc(cc2)OC)c3cccc(c3)Cl
InChi [?]:
InChI=1/C20H17ClN2O2S/c1-13-19(15-4-3-5-16(21)12-15)23-20(26-13)22-18(24)11-8-14-6-9-17(25-2)10-7-14/h3-12H,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,19,22,21,23,13,17,11,14,16,10,25,2,12,20,24,15,8,3,5,26,7,4,9,18,6/E:(6,7)(9,10)/rA:26nCCCNCSNCOCCCCCCCCOCCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s15;s18;s3;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17ClN2O2S
All Atoms:43
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.7832
Area:592.488
Solvation:-4.02903
Coulombic:-35.9613
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:384.88
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.49
LogP (Chemaxon):5.3

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