Chemical ID: 7376721

c1ccc(c(c1)C#N)OCC(=O)Nc2nc(cs2)c3ccccc3Cl
Chemical ID:
7376721
Name [?]:
N-[4-(2-chlorophenyl)thiazol-2-yl]-2-(2-cyanophenoxy)-acetamide
SMILES [?]:
c1ccc(c(c1)C#N)OCC(=O)Nc2nc(cs2)c3ccccc3Cl
InChi [?]:
InChI=1/C18H12ClN3O2S/c19-14-7-3-2-6-13(14)15-11-25-18(21-15)22-17(23)10-24-16-8-4-1-5-12(16)9-20/h1-8,11H,10H2,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,21,22,2,6,20,23,3,7,10,17,5,19,24,16,4,11,14,25,8,15,13,12,9,18/rA:25nCCCCCCCNOCCONCNCCSCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;s9;s10;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12ClN3O2S
All Atoms:37
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.08885
Area:578.338
Solvation:-5.36959
Coulombic:-38.0577
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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