Chemical ID: 6157890

CCc1c(nc(s1)NC(=O)C=Cc2ccc(cc2)Cl)c3ccccc3
Chemical ID:
6157890
Name [?]:
3-(4-chlorophenyl)-N-(5-ethyl-4-phenyl-thiazol-2-yl)-prop-2-enamide
SMILES [?]:
CCc1c(nc(s1)NC(=O)C=Cc2ccc(cc2)Cl)c3ccccc3
InChi [?]:
InChI=1/C20H17ClN2OS/c1-2-17-19(15-6-4-3-5-7-15)23-20(25-17)22-18(24)13-10-14-8-11-16(21)12-9-14/h3-13H,2H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,23,22,24,21,25,14,18,12,15,17,11,13,20,16,3,9,4,6,19,8,5,10,7/E:(4,5)(6,7)(8,9)(11,12)/rA:25nCCCCNCSNCOCCCCCCCCClCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s16;s4;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17ClN2OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.1557
Area:566.463
Solvation:-3.00592
Coulombic:-29.689
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:368.881
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.83
LogP (Chemaxon):6.02

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Descriptor Annotations

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