Chemical ID: 6154597

CCOc1ccc(cc1)c2csc(n2)NC(=O)COc3ccccc3C(C)(C)C
Chemical ID:
6154597
Name [?]:
N-[4-(4-ethoxyphenyl)thiazol-2-yl]-2-(2-tert-butylphenoxy)-acetamide
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NC(=O)COc3ccccc3C(C)(C)C
InChi [?]:
InChI=1/C23H26N2O3S/c1-5-27-17-12-10-16(11-13-17)19-15-29-22(24-19)25-21(26)14-28-20-9-7-6-8-18(20)23(2,3)4/h6-13,15H,5,14H2,1-4H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,27,28,29,2,23,22,24,21,6,8,5,9,18,11,7,4,25,10,20,16,13,26,14,15,17,3,19,12/E:(2,3,4)(10,11)(12,13)/rA:29nCCOCCCCCCCCSCNNCOCOCCCCCCCCCC/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.7906
Area:651.844
Solvation:-5.50553
Coulombic:-42.8107
Bond Count [?]
All:31
Single:22
Double:9
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:410.53
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.45
LogP (Chemaxon):5.94

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Descriptor Annotations

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