Chemical ID: 6187568

Cc1ccc(cc1)CN2CCc3c(cccc3OCC(=O)N4CCOCC4)C2=O
Chemical ID:
6187568
Name [?]:
5-(morpholinocarbonylmethoxy)-2-(p-tolylmethyl)-3,4-dihydroisoquinolin-1-one
SMILES [?]:
Cc1ccc(cc1)CN2CCc3c(cccc3OCC(=O)N4CCOCC4)C2=O
InChi [?]:
InChI=1/C23H26N2O4/c1-17-5-7-18(8-6-17)15-25-10-9-19-20(23(25)27)3-2-4-21(19)29-16-22(26)24-11-13-28-14-12-24/h2-8H,9-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,14,16,3,7,4,6,11,10,23,27,24,26,8,19,2,5,12,13,17,20,28,22,9,21,29,25,18/E:(5,6)(7,8)(11,12)(13,14)/rA:29nCCCCCCCCNCCCCCCCCOCCONCCOCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s19;d20;s20;s22;s23;s24;s25;s22s26;s9s13;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.164
Area:615.741
Solvation:-6.22952
Coulombic:-49.5149
Bond Count [?]
All:32
Single:24
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:394.464
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.39
LogP (Chemaxon):1.99

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Descriptor Annotations

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