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Chemical ID: 7376721
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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