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Chemical ID: 5509524
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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