Chemical ID: 5996745

c1cc(ccc1c2nc(on2)C3CCCN3C(=O)c4ccc(cc4Cl)Cl)Cl
Chemical ID:
5996745
Name [?]:
[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2,4-dichlorophenyl)-methanone
SMILES [?]:
c1cc(ccc1c2nc(on2)C3CCCN3C(=O)c4ccc(cc4Cl)Cl)Cl
InChi [?]:
InChI=1/C19H14Cl3N3O2/c20-12-5-3-11(4-6-12)17-23-18(27-24-17)16-2-1-9-25(16)19(26)14-8-7-13(21)10-15(14)22/h3-8,10,16H,1-2,9H2
InChi Info:
AuxInfo=1/0/N:14,13,1,5,2,4,21,20,15,23,6,3,22,19,24,12,7,9,17,27,26,25,8,11,16,18,10/E:(3,4)(5,6)/rA:27cCCCCCCCNCONCCCCNCOCCCCCCClClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s9;s12;s13;s14;s12s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14Cl3N3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:12.5882
Area:617.115
Solvation:-2.83971
Coulombic:-31.9054
Bond Count [?]
All:30
Single:21
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:422.692
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.89
LogP (Chemaxon):5.04

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Descriptor Annotations

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