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Chemical ID: 5996745
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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