Chemical ID: 4387113

Cc1cc(ccc1C(C)C)OCC(=O)Nc2nc(cs2)c3ccccc3
Chemical ID:
4387113
Name [?]:
2-(4-isopropyl-3-methyl-phenoxy)-N-(4-phenylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1cc(ccc1C(C)C)OCC(=O)Nc2nc(cs2)c3ccccc3
InChi [?]:
InChI=1/C21H22N2O2S/c1-14(2)18-10-9-17(11-15(18)3)25-12-20(24)23-21-22-19(13-26-21)16-7-5-4-6-8-16/h4-11,13-14H,12H2,1-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:9,10,1,24,23,25,22,26,5,6,3,12,19,8,2,21,4,7,18,13,16,17,15,14,11,20/E:(1,2)(5,6)(7,8)/rA:26nCCCCCCCCCCOCCONCNCCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s8;s4;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:10.6342
Area:605.55
Solvation:-4.50455
Coulombic:-35.7931
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:5.35
LogP (Chemaxon):5.88

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Descriptor Annotations

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