Chemical ID: 6218081

c1cc(ccc1C#N)c2csc(n2)NC(=O)COc3ccc(cc3)Cl
Chemical ID:
6218081
Name [?]:
2-(4-chlorophenoxy)-N-[4-(4-cyanophenyl)thiazol-2-yl]-acetamide
SMILES [?]:
c1cc(ccc1C#N)c2csc(n2)NC(=O)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H12ClN3O2S/c19-14-5-7-15(8-6-14)24-10-17(23)22-18-21-16(11-25-18)13-3-1-12(9-20)2-4-13/h1-8,11H,10H2,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,21,23,20,24,7,17,10,6,3,22,19,9,15,12,25,8,13,14,16,18,11/E:(1,2)(3,4)(5,6)(7,8)/rA:25nCCCCCCCNCCSCNNCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12ClN3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.99371
Area:601.274
Solvation:-5.03814
Coulombic:-37.9556
Bond Count [?]
All:27
Single:17
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:369.826
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.86
LogP (Chemaxon):4.55

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