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Chemical ID: 6218131
Chemical ID:
6218131
Name [?]:
N-[4-(4-nitrophenyl)thiazol-2-yl]-2-phenoxy-acetamide
SMILES [?]:
c1ccc(cc1)OCC(=O)Nc2nc(cs2)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H13N3O4S/c21-16(10-24-14-4-2-1-3-5-14)19-17-18-15(11-25-17)12-6-8-13(9-7-12)20(22)23/h1-9,11H,10H2,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,18,22,19,21,8,15,17,20,4,14,9,12,13,11,23,10,24,25,7,16/E:(2,3)(4,5)(6,7)(8,9)(22,23)/CRV:20.5/rA:25nCCCCCCOCCONCNCCSCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13N3O4S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.12552 |
Area: | 573.464 |
Solvation: | -10.2111 |
Coulombic: | -45.8396 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 355.369 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.28 |
LogP (Chemaxon): | 4.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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