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Chemical ID: 6146430
Chemical ID:
6146430
Name [?]:
N-[4-(4-ethoxyphenyl)thiazol-2-yl]-2-(4-methyl-2-tert-butyl-phenoxy)-acetamide
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(cc3C(C)(C)C)C
InChi [?]:
InChI=1/C24H28N2O3S/c1-6-28-18-10-8-17(9-11-18)20-15-30-23(25-20)26-22(27)14-29-21-12-7-16(2)13-19(21)24(3,4)5/h7-13,15H,6,14H2,1-5H3,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,30,27,28,29,2,22,6,8,5,9,21,24,18,11,23,7,4,25,10,20,16,13,26,14,15,17,3,19,12/E:(3,4,5)(8,9)(10,11)/rA:30nCCOCCCCCCCCSCNNCOCOCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s25;s26;s26;s26;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28N2O3S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3967 |
Area: | 677.794 |
Solvation: | -5.54817 |
Coulombic: | -42.574 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 424.557 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.89 |
LogP (Chemaxon): | 6.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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