Chemical ID: 6145944

CC(C)(C)c1ccccc1OCC(=O)Nc2nc(cs2)c3ccccc3
Chemical ID:
6145944
Name [?]:
N-(4-phenylthiazol-2-yl)-2-(2-tert-butylphenoxy)-acetamide
SMILES [?]:
CC(C)(C)c1ccccc1OCC(=O)Nc2nc(cs2)c3ccccc3
InChi [?]:
InChI=1/C21H22N2O2S/c1-21(2,3)16-11-7-8-12-18(16)25-13-19(24)23-20-22-17(14-26-20)15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,24,23,25,7,8,22,26,6,9,12,19,21,5,18,10,13,16,2,17,15,14,11,20/E:(1,2,3)(5,6)(9,10)/rA:26nCCCCCCCCCCOCCONCNCCSCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s10;s11;s12;d13;s13;s15;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.3982
Area:586.014
Solvation:-4.25213
Coulombic:-36.4371
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:366.478
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.12
LogP (Chemaxon):5.85

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Descriptor Annotations

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