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Chemical ID: 4160435
Chemical ID:
4160435
Name [?]:
4-(2,4-dimethylphenoxy)-N-[4-(4-ethoxyphenyl)thiazol-2-yl]-butanamide
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NC(=O)CCCOc3ccc(cc3C)C
InChi [?]:
InChI=1/C23H26N2O3S/c1-4-27-19-10-8-18(9-11-19)20-15-29-23(24-20)25-22(26)6-5-13-28-21-12-7-16(2)14-17(21)3/h7-12,14-15H,4-6,13H2,1-3H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,29,28,2,19,18,24,6,8,5,9,23,20,26,11,25,27,7,4,10,22,16,13,14,15,17,3,21,12/E:(8,9)(10,11)/rA:29nCCOCCCCCCCCSCNNCOCCCOCCCCCCCC/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;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H26N2O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.6673 |
Area: | 685.04 |
Solvation: | -5.45871 |
Coulombic: | -41.0165 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 410.53 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.03 |
LogP (Chemaxon): | 5.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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