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Chemical ID: 7310529
Chemical ID:
7310529
Name [?]:
2-(4-acetylphenoxy)-N-[4-(4-ethylphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
CCc1ccc(cc1)c2csc(n2)NC(=O)COc3ccc(cc3)C(=O)C
InChi [?]:
InChI=1/C21H20N2O3S/c1-3-15-4-6-17(7-5-15)19-13-27-21(22-19)23-20(25)12-26-18-10-8-16(9-11-18)14(2)24/h4-11,13H,3,12H2,1-2H3,(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,27,2,4,8,5,7,21,23,20,24,17,10,25,3,22,6,19,9,15,12,13,14,26,16,18,11/E:(4,5)(6,7)(8,9)(10,11)/rA:27nCCCCCCCCCCSCNNCOCOCCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20N2O3S |
All Atoms: | 47 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0278 |
Area: | 627.438 |
Solvation: | -5.65812 |
Coulombic: | -41.9462 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 380.461 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.25 |
LogP (Chemaxon): | 4.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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