Chemical ID: 5996906

COc1cccc(c1)c2nc(on2)C3CCCN3C(=O)COc4ccc(cc4)Cl
Chemical ID:
5996906
Name [?]:
2-(4-chlorophenoxy)-1-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-ethanone
SMILES [?]:
COc1cccc(c1)c2nc(on2)C3CCCN3C(=O)COc4ccc(cc4)Cl
InChi [?]:
InChI=1/C21H20ClN3O4/c1-27-17-5-2-4-14(12-17)20-23-21(29-24-20)18-6-3-11-25(18)19(26)13-28-16-9-7-15(22)8-10-16/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,16,6,4,15,25,27,24,28,17,8,21,7,26,23,3,14,19,9,11,29,10,13,18,20,2,22,12/E:(7,8)(9,10)/rA:29cCOCCCCCCCNCONCCCCNCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;s14;s15;s16;s14s17;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20ClN3O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:9.85753
Area:645.452
Solvation:-6.27877
Coulombic:-43.8648
Bond Count [?]
All:32
Single:23
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:413.854
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.25
LogP (Chemaxon):3.52

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Descriptor Annotations

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