Chemical ID: 6187486

CC1CCN(CC1)C(=O)COc2cccc3c2CCN(C3=O)Cc4ccccc4
Chemical ID:
6187486
Name [?]:
2-benzyl-5-[(4-methyl-1-piperidyl)carbonylmethoxy]-3,4-dihydroisoquinolin-1-one
SMILES [?]:
CC1CCN(CC1)C(=O)COc2cccc3c2CCN(C3=O)Cc4ccccc4
InChi [?]:
InChI=1/C24H28N2O3/c1-18-10-13-25(14-11-18)23(27)17-29-22-9-5-8-21-20(22)12-15-26(24(21)28)16-19-6-3-2-4-7-19/h2-9,18H,10-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,27,26,28,14,25,29,15,13,3,7,18,4,6,19,23,10,2,24,17,16,12,8,21,5,20,9,22,11/E:(3,4)(6,7)(10,11)(13,14)/rA:29nCCCCNCCCOCOCCCCCCCCNCOCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s19;s16s20;d21;s20;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H28N2O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.8231
Area:618.557
Solvation:-4.6408
Coulombic:-42.8941
Bond Count [?]
All:32
Single:24
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:392.491
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.73
LogP (Chemaxon):2.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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