Chemical ID: 6877545

Cc1ccc(cc1C)c2csc(n2)NC(=O)C=Cc3ccc(cc3)Cl
Chemical ID:
6877545
Name [?]:
3-(4-chlorophenyl)-N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-prop-2-enamide
SMILES [?]:
Cc1ccc(cc1C)c2csc(n2)NC(=O)C=Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H17ClN2OS/c1-13-3-7-16(11-14(13)2)18-12-25-20(22-18)23-19(24)10-6-15-4-8-17(21)9-5-15/h3-12H,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,8,3,20,24,18,4,21,23,17,6,10,2,7,19,5,22,9,15,12,25,13,14,16,11/E:(4,5)(8,9)/rA:25nCCCCCCCCCCSCNNCOCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;s11;s9d12;s12;s14;d15;s15;w17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17ClN2OS
All Atoms:42
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.7752
Area:579.612
Solvation:-2.71511
Coulombic:-29.2697
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:368.881
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.6
LogP (Chemaxon):6.49

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