Chemical ID: 5509524

CC(=O)Nc1ccc(cc1)c2csc(n2)NC(=O)COc3ccccc3C#N
Chemical ID:
5509524
Name [?]:
N-[4-[2-[2-(2-cyanophenoxy)acetyl]aminothiazol-4-yl]phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)c2csc(n2)NC(=O)COc3ccccc3C#N
InChi [?]:
InChI=1/C20H16N4O3S/c1-13(25)22-16-8-6-14(7-9-16)17-12-28-20(23-17)24-19(26)11-27-18-5-3-2-4-15(18)10-21/h2-9,12H,11H2,1H3,(H,22,25)(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,7,9,6,10,27,19,12,2,8,26,5,11,21,17,14,28,4,15,16,3,18,20,13/E:(6,7)(8,9)/rA:28nCCONCCCCCCCCSCNNCOCOCCCCCCCN/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s26;t27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16N4O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.05173
Area:632.243
Solvation:-6.75434
Coulombic:-55.597
Bond Count [?]
All:30
Single:19
Double:10
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:392.432
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.49
LogP (Chemaxon):3.36

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