Chemical ID: 7466987

Cc1ccc(c(c1)C)OCc2ccc(cc2)c3nc(c(s3)C(=O)O)C
Chemical ID:
7466987
Name [?]:
2-[4-[(2,4-dimethylphenoxy)methyl]phenyl]-4-methyl-thiazole-5-carboxylic acid
SMILES [?]:
Cc1ccc(c(c1)C)OCc2ccc(cc2)c3nc(c(s3)C(=O)O)C
InChi [?]:
InChI=1/C20H19NO3S/c1-12-4-9-17(13(2)10-12)24-11-15-5-7-16(8-6-15)19-21-14(3)18(25-19)20(22)23/h4-10H,11H2,1-3H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,8,25,3,12,16,13,15,4,7,10,2,6,19,11,14,5,20,17,22,18,23,24,9,21/E:(5,6)(7,8)(22,23)/rA:25nCCCCCCCCOCCCCCCCCNCCSCOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;s10;s11;d12;s13;d14;d11s15;s14;d17;s18;d19;s17s20;s20;d22;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO3S
All Atoms:44
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.3477
Area:584.882
Solvation:-3.27435
Coulombic:-42.6506
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:353.436
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.17
LogP (Chemaxon):4.58

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Descriptor Annotations

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