Chemical ID: 4888762

c1ccc(cc1)C(=O)N2CCCC(C2)C(=O)N3CCc4ccccc4C3
Chemical ID:
4888762
Name [?]:
[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-piperidyl]-phenyl-methanone
SMILES [?]:
c1ccc(cc1)C(=O)N2CCCC(C2)C(=O)N3CCc4ccccc4C3
InChi [?]:
InChI=1/C22H24N2O2/c25-21(18-8-2-1-3-9-18)23-13-6-11-20(16-23)22(26)24-14-12-17-7-4-5-10-19(17)15-24/h1-5,7-10,20H,6,11-16H2
InChi Info:
AuxInfo=1/0/N:1,2,6,22,23,11,21,3,5,24,12,19,10,18,26,14,20,4,25,13,7,15,9,17,8,16/E:(2,3)(8,9)/rA:26cCCCCCCCONCCCCCCONCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s9s13;s13;d15;s15;s17;s18;s19;s20;d21;s22;d23;d20s24;s17s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24N2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.7132
Area:547.133
Solvation:-2.9651
Coulombic:-35.7865
Bond Count [?]
All:29
Single:21
Double:8
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:348.438
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.97
LogP (Chemaxon):2.77

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Descriptor Annotations

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