Chemical ID: 6187714

CCCOc1cccc2c1CCN(C2=O)Cc3ccccc3C
Chemical ID:
6187714
Name [?]:
2-(o-tolylmethyl)-5-propoxy-3,4-dihydroisoquinolin-1-one
SMILES [?]:
CCCOc1cccc2c1CCN(C2=O)Cc3ccccc3C
InChi [?]:
InChI=1/C20H23NO2/c1-3-13-23-19-10-6-9-18-17(19)11-12-21(20(18)22)14-16-8-5-4-7-15(16)2/h4-10H,3,11-14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,20,19,7,21,18,8,6,11,12,3,16,22,17,10,9,5,14,13,15,4/rA:23nCCCOCCCCCCCCNCOCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s12;s9s13;d14;s13;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.2895
Area:523.672
Solvation:-2.80228
Coulombic:-27.2157
Bond Count [?]
All:25
Single:18
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:309.402
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.26
LogP (Chemaxon):3.97

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Descriptor Annotations

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