Chemical ID: 7466903

Cc1ccc(c(c1)OCc2ccc(cc2)c3nc(cs3)CC(=O)O)C
Chemical ID:
7466903
Name [?]:
2-[2-[4-[(2,5-dimethylphenoxy)methyl]phenyl]thiazol-4-yl]acetic acid
SMILES [?]:
Cc1ccc(c(c1)OCc2ccc(cc2)c3nc(cs3)CC(=O)O)C
InChi [?]:
InChI=1/C20H19NO3S/c1-13-3-4-14(2)18(9-13)24-11-15-5-7-16(8-6-15)20-21-17(12-25-20)10-19(22)23/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,3,4,11,15,12,14,7,21,9,19,2,5,10,13,18,6,22,16,17,23,24,8,20/E:(5,6)(7,8)(22,23)/rA:25nCCCCCCCOCCCCCCCCNCCSCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;s17;d18;s16s19;s18;s21;d22;s22;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO3S
All Atoms:44
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.2132
Area:584.398
Solvation:-4.39678
Coulombic:-39.8711
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:353.436
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.17
LogP (Chemaxon):5.05

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Descriptor Annotations

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