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Chemical ID: 4153220
Chemical ID:
4153220
Name [?]:
N-[4-(4-ethoxyphenyl)thiazol-2-yl]-4-(2-methylphenoxy)-butanamide
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NC(=O)CCCOc3ccccc3C
InChi [?]:
InChI=1/C22H24N2O3S/c1-3-26-18-12-10-17(11-13-18)19-15-28-22(23-19)24-21(25)9-6-14-27-20-8-5-4-7-16(20)2/h4-5,7-8,10-13,15H,3,6,9,14H2,1-2H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,28,2,25,24,19,26,23,18,6,8,5,9,20,11,27,7,4,10,22,16,13,14,15,17,3,21,12/E:(10,11)(12,13)/rA:28nCCOCCCCCCCCSCNNCOCCCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;s20;s21;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0853 |
Area: | 661.712 |
Solvation: | -5.45753 |
Coulombic: | -41.254 |
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: | 4.59 |
LogP (Chemaxon): | 5.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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