Chemical ID: 7350923

CCOc1ccc(cc1OC)C(=O)C=C2c3cc(c(cc3CCN2)OC)OC
Chemical ID:
7350923
Name [?]:
2-(6,7-dimethoxy-3,4-dihydro-2H-isoquinolin-1-ylidene)-1-(4-ethoxy-3-methoxy-phenyl)-ethanone
SMILES [?]:
CCOc1ccc(cc1OC)C(=O)C=C2c3cc(c(cc3CCN2)OC)OC
InChi [?]:
InChI=1/C22H25NO5/c1-5-28-19-7-6-15(11-20(19)25-2)18(24)13-17-16-12-22(27-4)21(26-3)10-14(16)8-9-23-17/h6-7,10-13,23H,5,8-9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,11,26,28,2,6,5,22,23,20,8,17,14,21,7,16,15,12,4,9,19,18,24,13,10,25,27,3/rA:28nCCOCCCCCCOCCOCCCCCCCCCCNOCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s22;s15s23;s19;s25;s18;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25NO5
All Atoms:53
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:5.85983
Area:608.067
Solvation:-9.34184
Coulombic:-46.4848
Bond Count [?]
All:30
Single:22
Double:8
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:383.438
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.21
LogP (Chemaxon):2.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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