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Chemical ID: 6282261
Chemical ID:
6282261
Name [?]:
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)-benzamide
SMILES [?]:
c1ccc(c(c1)c2nnc(o2)NC(=O)c3ccc(cc3)N4C(=O)CCC4=O)Cl
InChi [?]:
InChI=1/C19H13ClN4O4/c20-14-4-2-1-3-13(14)18-22-23-19(28-18)21-17(27)11-5-7-12(8-6-11)24-15(25)9-10-16(24)26/h1-8H,9-10H2,(H,21,23,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,16,20,17,19,24,25,15,18,5,4,22,26,13,7,10,28,12,8,9,21,23,27,14,11/E:(5,6)(7,8)(9,10)(15,16)(25,26)/rA:28nCCCCCCCNNCONCOCCCCCCNCOCCCOCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;s12;d13;s13;s15;d16;s17;d18;d15s19;s18;s21;d22;s22;s24;s21s25;d26;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H13ClN4O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.93502 |
Area: | 598.613 |
Solvation: | -5.0303 |
Coulombic: | -58.929 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 396.784 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.69 |
LogP (Chemaxon): | 2.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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