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Chemical ID: 4161328
Chemical ID:
4161328
Name [?]:
N-(5-methyl-4-phenyl-thiazol-2-yl)-2-(2-tert-butylphenoxy)-acetamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)COc2ccccc2C(C)(C)C)c3ccccc3
InChi [?]:
InChI=1/C22H24N2O2S/c1-15-20(16-10-6-5-7-11-16)24-21(27-15)23-19(25)14-26-18-13-9-8-12-17(18)22(2,3)4/h5-13H,14H2,1-4H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,19,20,21,25,24,26,15,14,23,27,16,13,10,2,22,17,12,8,3,5,18,7,4,9,11,6/E:(2,3,4)(6,7)(10,11)/rA:27nCCCNCSNCOCOCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s18;s18;s3;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0042 |
Area: | 605.833 |
Solvation: | -4.14164 |
Coulombic: | -36.6343 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 380.504 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.97 |
LogP (Chemaxon): | 5.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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