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Chemical ID: 4160504
Chemical ID:
4160504
Name [?]:
2-(4-ethoxyphenoxy)-N-[4-(4-nitrophenyl)thiazol-2-yl]-acetamide
SMILES [?]:
CCOc1ccc(cc1)OCC(=O)Nc2nc(cs2)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
InChI=1/C19H17N3O5S/c1-2-26-15-7-9-16(10-8-15)27-11-18(23)21-19-20-17(12-28-19)13-3-5-14(6-4-13)22(24)25/h3-10,12H,2,11H2,1H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,21,25,22,24,5,9,6,8,11,18,20,23,4,7,17,12,15,16,14,26,13,27,28,3,10,19/E:(3,4)(5,6)(7,8)(9,10)(24,25)/CRV:22.5/rA:28nCCOCCCCCCOCCONCNCCSCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s23;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17N3O5S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.55084 |
Area: | 635.636 |
Solvation: | -11.3401 |
Coulombic: | -52.0957 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 399.422 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 3.62 |
LogP (Chemaxon): | 4.26 |
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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