Chemical ID: 5121718

CC1c2cc(c(cc2CCN1C(=O)c3ccc(cc3OC)OC)OC)OC
Chemical ID:
5121718
Name [?]:
(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(2,4-dimethoxyphenyl)-methanone
SMILES [?]:
CC1c2cc(c(cc2CCN1C(=O)c3ccc(cc3OC)OC)OC)OC
InChi [?]:
InChI=1/C21H25NO5/c1-13-17-12-20(27-5)19(26-4)10-14(17)8-9-22(13)21(23)16-7-6-15(24-2)11-18(16)25-3/h6-7,10-13H,8-9H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,23,21,25,27,16,15,9,10,7,18,4,2,8,17,14,3,19,6,5,12,11,13,22,20,24,26/rA:27cCCCCCCCCCCNCOCCCCCCOCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s2s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s20;s17;s22;s6;s24;s5;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25NO5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:5.77315
Area:564.433
Solvation:-8.33768
Coulombic:-44.4035
Bond Count [?]
All:29
Single:22
Double:7
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:371.427
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:3.04
LogP (Chemaxon):2.35

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Descriptor Annotations

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