Chemical ID: 4924576

COc1ccc(cc1)N=Cc2cc(c(c(c2)OC)OC)OC
Chemical ID:
4924576
Name [?]:
N-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-methanimine
SMILES [?]:
COc1ccc(cc1)N=Cc2cc(c(c(c2)OC)OC)OC
InChi [?]:
InChI=1/C17H19NO4/c1-19-14-7-5-13(6-8-14)18-11-12-9-15(20-2)17(22-4)16(10-12)21-3/h5-11H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,22,20,5,7,4,8,16,12,10,11,6,3,15,13,14,9,2,17,21,19/E:(2,3)(5,6)(7,8)(9,10)(15,16)(20,21)/rA:22nCOCCCCCCNCCCCCCCOCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s13;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:4.52034
Area:466.315
Solvation:-7.13755
Coulombic:-33.7662
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:301.337
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.63
LogP (Chemaxon):3.24

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Descriptor Annotations

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