Chemical ID: 5996766

c1cc(ccc1c2nc(on2)C3CCCN3C(=O)c4ccc(cc4)Br)Cl
Chemical ID:
5996766
Name [?]:
(4-bromophenyl)-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-methanone
SMILES [?]:
c1cc(ccc1c2nc(on2)C3CCCN3C(=O)c4ccc(cc4)Br)Cl
InChi [?]:
InChI=1/C19H15BrClN3O2/c20-14-7-3-13(4-8-14)19(25)24-11-1-2-16(24)18-22-17(23-26-18)12-5-9-15(21)10-6-12/h3-10,16H,1-2,11H2
InChi Info:
AuxInfo=1/0/N:14,13,20,24,1,5,21,23,2,4,15,6,19,22,3,12,7,9,17,25,26,8,11,16,18,10/E:(3,4)(5,6)(7,8)(9,10)/rA:26cCCCCCCCNCONCCCCNCOCCCCCCBrCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d7s10;s9;s12;s13;s14;s12s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15BrClN3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:12.1258
Area:587.894
Solvation:-2.57151
Coulombic:-32.1911
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:432.698
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.45
LogP (Chemaxon):4.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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