Chemical ID: 7348606

CC(C(=O)N1CCc2cc(c(cc2C1=C)OC)OC)NC(=O)c3ccccc3C(=O)OC
Chemical ID:
7348606
Name [?]:
methyl 2-[1-[(6,7-dimethoxy-1-methylene-3,4-dihydroisoquinolin-2-yl)carbonyl]ethylcarbamoyl]benzoate
SMILES [?]:
CC(C(=O)N1CCc2cc(c(cc2C1=C)OC)OC)NC(=O)c3ccccc3C(=O)OC
InChi [?]:
InChI=1/C24H26N2O6/c1-14(25-22(27)17-8-6-7-9-18(17)24(29)32-5)23(28)26-11-10-16-12-20(30-3)21(31-4)13-19(16)15(26)2/h6-9,12-14H,2,10-11H2,1,3-5H3,(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,15,19,17,32,25,26,24,27,7,6,9,12,2,14,8,23,28,13,10,11,21,3,29,20,5,22,4,30,18,16,31/rA:32cCCCONCCCCCCCCCCOCOCNCOCCCCCCCOOC/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s10;d11;d8s12;s5s13;d14;s11;s16;s10;s18;s2;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;d29;s29;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26N2O6
All Atoms:58
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:9.31476
Area:668.247
Solvation:-7.39142
Coulombic:-71.2904
Bond Count [?]
All:34
Single:24
Double:10
Rotors:9
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:438.473
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.02
LogP (Chemaxon):1.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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