Chemical ID: 6841133

Cc1ccc(c(c1)C(C)(C)C)OCC(=O)Nc2nc(cs2)c3ccccc3
Chemical ID:
6841133
Name [?]:
2-(4-methyl-2-tert-butyl-phenoxy)-N-(4-phenylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1ccc(c(c1)C(C)(C)C)OCC(=O)Nc2nc(cs2)c3ccccc3
InChi [?]:
InChI=1/C22H24N2O2S/c1-15-10-11-19(17(12-15)22(2,3)4)26-13-20(25)24-21-23-18(14-27-21)16-8-6-5-7-9-16/h5-12,14H,13H2,1-4H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,9,10,11,25,24,26,23,27,3,4,7,13,20,2,22,6,19,5,14,17,8,18,16,15,12,21/E:(2,3,4)(6,7)(8,9)/rA:27nCCCCCCCCCCCOCCONCNCCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s8;s8;s5;s12;s13;d14;s14;s16;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N2O2S
All Atoms:51
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:10.9336
Area:607.751
Solvation:-4.26018
Coulombic:-36.2019
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:5.55
LogP (Chemaxon):6.31

Name Annotations

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Descriptor Annotations

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