Chemical ID: 5182136

Cc1ccc(cc1)c2c(sc(n2)NC(=O)CCCOc3ccccc3OC)C
Chemical ID:
5182136
Name [?]:
4-(2-methoxyphenoxy)-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-butanamide
SMILES [?]:
Cc1ccc(cc1)c2c(sc(n2)NC(=O)CCCOc3ccccc3OC)C
InChi [?]:
InChI=1/C22H24N2O3S/c1-15-10-12-17(13-11-15)21-16(2)28-22(24-21)23-20(25)9-6-14-27-19-8-5-4-7-18(19)26-3/h4-5,7-8,10-13H,6,9,14H2,1-3H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,28,27,23,22,17,24,21,16,3,7,4,6,18,2,9,5,25,20,14,8,11,13,12,15,26,19,10/E:(10,11)(12,13)/rA:28nCCCCCCCCCSCNNCOCCCOCCCCCCOCC/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;s25;s26;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.85873
Area:647.382
Solvation:-6.32581
Coulombic:-41.0445
Bond Count [?]
All:30
Single:21
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:396.504
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.96
LogP (Chemaxon):4.86

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Descriptor Annotations

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