Chemical ID: 4153730

Cc1ccc(cc1)c2c(sc(n2)NC(=O)CCCOc3ccc(cc3)C)C
Chemical ID:
4153730
Name [?]:
4-(4-methylphenoxy)-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-butanamide
SMILES [?]:
Cc1ccc(cc1)c2c(sc(n2)NC(=O)CCCOc3ccc(cc3)C)C
InChi [?]:
InChI=1/C22H24N2O2S/c1-15-6-10-18(11-7-15)21-17(3)27-22(24-21)23-20(25)5-4-14-26-19-12-8-16(2)9-13-19/h6-13H,4-5,14H2,1-3H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,26,27,17,16,3,7,22,24,4,6,21,25,18,2,23,9,5,20,14,8,11,13,12,15,19,10/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCCCCCCCCCSCNNCOCCCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;s18;s19;s20;d21;s22;d23;d20s24;s23;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.7404
Area:634.187
Solvation:-4.11433
Coulombic:-34.6648
Bond Count [?]
All:29
Single:20
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:380.504
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.75
LogP (Chemaxon):5.58

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