Chemical ID: 7375850

Cc1c(nc(s1)NC(=O)COc2ccccc2C#N)c3ccc(cc3)OC
Chemical ID:
7375850
Name [?]:
2-(2-cyanophenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-acetamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)COc2ccccc2C#N)c3ccc(cc3)OC
InChi [?]:
InChI=1/C20H17N3O3S/c1-13-19(14-7-9-16(25-2)10-8-14)23-20(27-13)22-18(24)12-26-17-6-4-3-5-15(17)11-21/h3-10H,12H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,27,15,14,16,13,21,25,22,24,18,10,2,20,17,23,12,8,3,5,19,7,4,9,26,11,6/E:(7,8)(9,10)/rA:27nCCCNCSNCOCOCCCCCCCNCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;t18;s3;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17N3O3S
All Atoms:44
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:8.81598
Area:615.393
Solvation:-6.56885
Coulombic:-44.4428
Bond Count [?]
All:29
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:379.433
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.0
LogP (Chemaxon):3.78

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