Chemical ID: 6187478

CCCCOc1cccc2c1CCN(C2=O)Cc3ccccc3
Chemical ID:
6187478
Name [?]:
2-benzyl-5-butoxy-3,4-dihydroisoquinolin-1-one
SMILES [?]:
CCCCOc1cccc2c1CCN(C2=O)Cc3ccccc3
InChi [?]:
InChI=1/C20H23NO2/c1-2-3-14-23-19-11-7-10-18-17(19)12-13-21(20(18)22)15-16-8-5-4-6-9-16/h4-11H,2-3,12-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,21,20,22,8,19,23,9,7,12,13,4,17,18,11,10,6,15,14,16,5/E:(5,6)(8,9)/rA:23nCCCCOCCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s11;s12;s13;s10s14;d15;s14;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.5559
Area:530.234
Solvation:-2.69993
Coulombic:-27.7838
Bond Count [?]
All:25
Single:18
Double:7
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:309.402
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.39
LogP (Chemaxon):3.9

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Descriptor Annotations

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