Chemical ID: 5987555

Cc1cccc(c1)n2c(cc(n2)c3ccccc3Cl)C(=O)N4CC5(CC4CC(C5)(C)C)C
Chemical ID:
5987555
Name [?]:
[5-(2-chlorophenyl)-2-(m-tolyl)pyrazol-3-yl]-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-methanone
SMILES [?]:
Cc1cccc(c1)n2c(cc(n2)c3ccccc3Cl)C(=O)N4CC5(CC4CC(C5)(C)C)C
InChi [?]:
InChI=1/C27H30ClN3O/c1-18-8-7-9-19(12-18)31-24(13-23(29-31)21-10-5-6-11-22(21)28)25(32)30-17-27(4)15-20(30)14-26(2,3)16-27/h5-13,20H,14-17H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,31,32,15,16,4,3,5,14,17,7,10,27,25,29,23,2,6,26,13,18,11,9,20,28,24,19,12,22,8,21/E:(2,3)/rA:32cCCCCCCCNCCCNCCCCCCClCONCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s18;s9;d20;s20;s22;s23;s24;s22s25;s26;s27;s24s28;s28;s28;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30ClN3O
All Atoms:32
Heavy Atoms:32
Chiral Atoms:2
ZAP Information [?]
Total:13.1528
Area:646.249
Solvation:-3.00344
Coulombic:-25.7204
Bond Count [?]
All:36
Single:27
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:447.999
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:7.43
LogP (Chemaxon):6.35

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Descriptor Annotations

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