Chemical ID: 6282576

COc1cccc(c1)c2nnc(o2)NC(=O)c3ccc(cc3)N4C(=O)CCC4=O
Chemical ID:
6282576
Name [?]:
4-(2,5-dioxopyrrolidin-1-yl)-N-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-benzamide
SMILES [?]:
COc1cccc(c1)c2nnc(o2)NC(=O)c3ccc(cc3)N4C(=O)CCC4=O
InChi [?]:
InChI=1/C20H16N4O5/c1-28-15-4-2-3-13(11-15)19-22-23-20(29-19)21-18(27)12-5-7-14(8-6-12)24-16(25)9-10-17(24)26/h2-8,11H,9-10H2,1H3,(H,21,23,27)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,18,22,19,21,26,27,8,17,7,20,3,24,28,15,9,12,14,10,11,23,25,29,16,2,13/E:(5,6)(7,8)(9,10)(16,17)(25,26)/rA:29nCOCCCCCCCNNCONCOCCCCCCNCOCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;d11;s9s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;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:9.05028
Area:611.409
Solvation:-6.23494
Coulombic:-65.1282
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

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Descriptor Annotations

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