Chemical ID: 6856479

c1ccc(c(c1)c2csc(n2)NC(=O)C=Cc3cccc(c3)Cl)Cl
Chemical ID:
6856479
Name [?]:
3-(3-chlorophenyl)-N-[4-(2-chlorophenyl)thiazol-2-yl]-prop-2-enamide
SMILES [?]:
c1ccc(c(c1)c2csc(n2)NC(=O)C=Cc3cccc(c3)Cl)Cl
InChi [?]:
InChI=1/C18H12Cl2N2OS/c19-13-5-3-4-12(10-13)8-9-17(23)22-18-21-16(11-24-18)14-6-1-2-7-15(14)20/h1-11H,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,20,6,3,16,15,22,8,17,21,5,4,7,13,10,23,24,11,12,14,9/rA:24nCCCCCCCCSCNNCOCCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;s7d10;s10;s12;d13;s13;w15;s16;s17;d18;s19;d20;d17s21;s21;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12Cl2N2OS
All Atoms:36
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.0769
Area:554.752
Solvation:-2.79189
Coulombic:-29.6223
Bond Count [?]
All:26
Single:16
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:375.272
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.35
LogP (Chemaxon):6.07

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