Chemical ID: 6187476

CCCOc1cccc2c1CCN(C2=O)Cc3ccccc3
Chemical ID:
6187476
Name [?]:
2-benzyl-5-propoxy-3,4-dihydroisoquinolin-1-one
SMILES [?]:
CCCOc1cccc2c1CCN(C2=O)Cc3ccccc3
InChi [?]:
InChI=1/C19H21NO2/c1-2-13-22-18-10-6-9-17-16(18)11-12-20(19(17)21)14-15-7-4-3-5-8-15/h3-10H,2,11-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,20,19,21,7,18,22,8,6,11,12,3,16,17,10,9,5,14,13,15,4/E:(4,5)(7,8)/rA:22nCCCOCCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s9s13;d14;s13;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21NO2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.85565
Area:503.216
Solvation:-2.72476
Coulombic:-27.4615
Bond Count [?]
All:24
Single:17
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:295.376
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.82
LogP (Chemaxon):3.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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