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Chemical ID: 7375850
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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