Chemical ID: 6343980

Cc1c(nc(s1)NC(=O)CCc2ccc(cc2)OC)c3ccccc3
Chemical ID:
6343980
Name [?]:
3-(4-methoxyphenyl)-N-(5-methyl-4-phenyl-thiazol-2-yl)-propanamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)CCc2ccc(cc2)OC)c3ccccc3
InChi [?]:
InChI=1/C20H20N2O2S/c1-14-19(16-6-4-3-5-7-16)22-20(25-14)21-18(23)13-10-15-8-11-17(24-2)12-9-15/h3-9,11-12H,10,13H2,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,19,23,22,24,21,25,13,17,11,14,16,10,2,12,20,15,8,3,5,7,4,9,18,6/E:(4,5)(6,7)(8,9)(11,12)/rA:25nCCCNCSNCOCCCCCCCCOCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s15;s18;s3;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.686
Area:584.408
Solvation:-3.92419
Coulombic:-35.0601
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:352.451
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.58
LogP (Chemaxon):4.7

Name Annotations

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Descriptor Annotations

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