Chemical ID: 7467018

Cc1cccc(c1OCc2ccc(cc2)c3nc(c(s3)C(=O)O)C)C(C)(C)C
Chemical ID:
7467018
Name [?]:
4-methyl-2-[4-[(2-methyl-6-tert-butyl-phenoxy)methyl]phenyl]-thiazole-5-carboxylic acid
SMILES [?]:
Cc1cccc(c1OCc2ccc(cc2)c3nc(c(s3)C(=O)O)C)C(C)(C)C
InChi [?]:
InChI=1/C23H25NO3S/c1-14-7-6-8-18(23(3,4)5)19(14)27-13-16-9-11-17(12-10-16)21-24-15(2)20(28-21)22(25)26/h6-12H,13H2,1-5H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,24,26,27,28,4,3,5,11,15,12,14,9,2,18,10,13,6,7,19,16,21,25,17,22,23,8,20/E:(3,4,5)(9,10)(11,12)(25,26)/rA:28nCCCCCCCOCCCCCCCCNCCSCOOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;d16;s17;d18;s16s19;s19;d21;s21;s18;s6;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25NO3S
All Atoms:53
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.3013
Area:609.114
Solvation:-2.92655
Coulombic:-43.9868
Bond Count [?]
All:30
Single:21
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:395.516
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.34
LogP (Chemaxon):5.74

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Descriptor Annotations

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