Chemical ID: 5732008

Cc1c(nc(s1)NC(=O)CCc2ccc(cc2)OC)c3ccc(cc3)OC
Chemical ID:
5732008
Name [?]:
3-(4-methoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-propanamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)CCc2ccc(cc2)OC)c3ccc(cc3)OC
InChi [?]:
InChI=1/C21H22N2O3S/c1-14-20(16-7-11-18(26-3)12-8-16)23-21(27-14)22-19(24)13-6-15-4-9-17(25-2)10-5-15/h4-5,7-12H,6,13H2,1-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,19,27,13,17,11,21,25,14,16,22,24,10,2,12,20,15,23,8,3,5,7,4,9,18,26,6/E:(4,5)(7,8)(9,10)(11,12)/rA:27nCCCNCSNCOCCCCCCCCOCCCCCCCOC/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;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.2631
Area:622.446
Solvation:-5.29807
Coulombic:-41.1313
Bond Count [?]
All:29
Single:20
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:382.477
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.49
LogP (Chemaxon):4.45

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