Chemical ID: 4161328

Cc1c(nc(s1)NC(=O)COc2ccccc2C(C)(C)C)c3ccccc3
Chemical ID:
4161328
Name [?]:
N-(5-methyl-4-phenyl-thiazol-2-yl)-2-(2-tert-butylphenoxy)-acetamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)COc2ccccc2C(C)(C)C)c3ccccc3
InChi [?]:
InChI=1/C22H24N2O2S/c1-15-20(16-10-6-5-7-11-16)24-21(27-15)23-19(25)14-26-18-13-9-8-12-17(18)22(2,3)4/h5-13H,14H2,1-4H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,19,20,21,25,24,26,15,14,23,27,16,13,10,2,22,17,12,8,3,5,18,7,4,9,11,6/E:(2,3,4)(6,7)(10,11)/rA:27nCCCNCSNCOCOCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s18;s18;s3;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.0042
Area:605.833
Solvation:-4.14164
Coulombic:-36.6343
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:380.504
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.97
LogP (Chemaxon):5.84

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