Chemical ID: 7295927

CCOc1ccc(cc1)c2c(sc(n2)NC(=O)COc3ccc(cc3)C#N)C
Chemical ID:
7295927
Name [?]:
2-(4-cyanophenoxy)-N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-acetamide
SMILES [?]:
CCOc1ccc(cc1)c2c(sc(n2)NC(=O)COc3ccc(cc3)C#N)C
InChi [?]:
InChI=1/C21H19N3O3S/c1-3-26-17-10-6-16(7-11-17)20-14(2)28-21(24-20)23-19(25)13-27-18-8-4-15(12-22)5-9-18/h4-11H,3,13H2,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,28,2,22,24,6,8,21,25,5,9,26,18,11,23,7,4,20,16,10,13,27,15,14,17,3,19,12/E:(4,5)(6,7)(8,9)(10,11)/rA:28nCCOCCCCCCCCSCNNCOCOCCCCCCCNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;t26;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19N3O3S
All Atoms:47
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.8125
Area:641.648
Solvation:-6.2287
Coulombic:-44.4381
Bond Count [?]
All:30
Single:20
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:393.46
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.42
LogP (Chemaxon):4.12

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue