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Chemical ID: 6851683
Chemical ID:
6851683
Name [?]:
N-[4-(4-butoxyphenyl)thiazol-2-yl]-2-ethoxy-benzamide
SMILES [?]:
CCCCOc1ccc(cc1)c2csc(n2)NC(=O)c3ccccc3OCC
InChi [?]:
InChI=1/C22H24N2O3S/c1-3-5-14-27-17-12-10-16(11-13-17)19-15-28-22(23-19)24-21(25)18-8-6-7-9-20(18)26-4-2/h6-13,15H,3-5,14H2,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,28,2,27,3,22,23,21,24,8,10,7,11,4,13,9,6,20,12,25,18,15,16,17,19,26,5,14/E:(10,11)(12,13)/rA:28nCCCCOCCCCCCCCSCNNCOCCCCCCOCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s13;s14;s12d15;s15;s17;d18;s18;s20;d21;s22;d23;d20s24;s25;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O3S |
All Atoms: | 52 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9062 |
Area: | 654.954 |
Solvation: | -5.46763 |
Coulombic: | -42.7903 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 396.504 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.43 |
LogP (Chemaxon): | 5.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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