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Chemical ID: 6282782
Chemical ID:
6282782
Name [?]:
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(2,5-dioxopyrrolidin-1-yl)-benzamide
SMILES [?]:
COc1ccc(c(c1)OC)c2nnc(o2)NC(=O)c3ccc(cc3)N4C(=O)CCC4=O
InChi [?]:
InChI=1/C21H18N4O6/c1-29-14-7-8-15(16(11-14)30-2)20-23-24-21(31-20)22-19(28)12-3-5-13(6-4-12)25-17(26)9-10-18(25)27/h3-8,11H,9-10H2,1-2H3,(H,22,24,28)
InChi Info:
AuxInfo=1/1/N:1,10,20,24,21,23,4,5,28,29,8,19,22,3,6,7,26,30,17,11,14,16,12,13,25,27,31,18,2,9,15/E:(3,4)(5,6)(9,10)(17,18)(26,27)/rA:31nCOCCCCCCOCCNNCONCOCCCCCCNCOCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s12;d13;s11s14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;d26;s26;s28;s25s29;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H18N4O6 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.43627 |
Area: | 642.07 |
Solvation: | -7.61548 |
Coulombic: | -71.1979 |
Bond Count [?]
All: | 34 |
Single: | 23 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 422.391 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 2.9 |
LogP (Chemaxon): | 1.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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