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Chemical ID: 6282693
Chemical ID:
6282693
Name [?]:
3-(2,5-dioxopyrrolidin-1-yl)-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-benzamide
SMILES [?]:
COc1ccc(cc1)c2nnc(o2)NC(=O)c3cccc(c3)N4C(=O)CCC4=O
InChi [?]:
InChI=1/C20H16N4O5/c1-28-15-7-5-12(6-8-15)19-22-23-20(29-19)21-18(27)13-3-2-4-14(11-13)24-16(25)9-10-17(24)26/h2-8,11H,9-10H2,1H3,(H,21,23,27)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,5,7,4,8,26,27,22,6,17,21,3,24,28,15,9,12,14,10,11,23,25,29,16,2,13/E:(5,6)(7,8)(9,10)(16,17)(25,26)/rA:29nCOCCCCCCCNNCONCOCCCCCCNCOCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;d24;s24;s26;s23s27;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16N4O5 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.14985 |
Area: | 614.566 |
Solvation: | -6.21429 |
Coulombic: | -65.1704 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 392.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.99 |
LogP (Chemaxon): | 1.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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