Chemical ID: 5997085

Cc1cccc(c1C)NC(=O)N2CCCC2c3nc(no3)c4ccc(cc4)OC
Chemical ID:
5997085
Name [?]:
N-(2,3-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-pyrrolidine-1-carboxamide
SMILES [?]:
Cc1cccc(c1C)NC(=O)N2CCCC2c3nc(no3)c4ccc(cc4)OC
InChi [?]:
InChI=1/C22H24N4O3/c1-14-6-4-7-18(15(14)2)23-22(27)26-13-5-8-19(26)21-24-20(25-29-21)16-9-11-17(28-3)12-10-16/h4,6-7,9-12,19H,5,8,13H2,1-3H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,8,29,4,14,3,5,15,23,27,24,26,13,2,7,22,25,6,16,19,17,10,9,18,20,12,11,28,21/E:(9,10)(11,12)/rA:29cCCCCCCCCNCONCCCCCNCNOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;s14;s12s15;s16;d17;s18;d19;s17s20;s19;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N4O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.2965
Area:617.741
Solvation:-4.14702
Coulombic:-50.3028
Bond Count [?]
All:32
Single:23
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:392.451
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.09
LogP (Chemaxon):3.92

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Descriptor Annotations

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