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Chemical ID: 7143100
Chemical ID:
7143100
Name [?]:
N-[4-[5-[[5-(2-nitrophenyl)-2-furyl]methylene]-4-oxo-thiazol-2-yl]aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(o3)c4ccccc4[N+](=O)[O-])S2
InChi [?]:
InChI=1/C22H16N4O5S/c1-13(27)23-14-6-8-15(9-7-14)24-22-25-21(28)20(32-22)12-16-10-11-19(31-16)17-4-2-3-5-18(17)26(29)30/h2-12H,1H3,(H,23,27)(H,24,25,28)
InChi Info:
AuxInfo=1/1/N:1,25,26,24,27,6,10,7,9,19,20,17,2,5,8,18,23,28,21,16,14,12,4,11,13,29,3,15,30,31,22,32/E:(6,7)(8,9)(29,30)/CRV:26.5/rA:32nCCONCCCCCCNCNCOCCCCCCOCCCCCCN+OO-S/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s14;w16;s17;d18;s19;d20;s18s21;s21;s23;d24;s25;d26;d23s27;s28;d29;s29;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16N4O5S |
All Atoms: | 48 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.44958 |
Area: | 648.129 |
Solvation: | -10.7536 |
Coulombic: | -60.304 |
Bond Count [?]
All: | 35 |
Single: | 22 |
Double: | 13 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.61 |
LogP (Chemaxon): | None |
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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