Chemical ID: 6883481

Cc1ccc2c(c1)c(=NCC(C)C)cc(o2)c3ccc(c(c3)OC)OC
Chemical ID:
6883481
Name [?]:
2-(3,4-dimethoxyphenyl)-N-isobutyl-6-methyl-chromen-4-imine
SMILES [?]:
Cc1ccc2c(c1)c(=NCC(C)C)cc(o2)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C22H25NO3/c1-14(2)13-23-18-12-21(26-19-8-6-15(3)10-17(18)19)16-7-9-20(24-4)22(11-16)25-5/h6-12,14H,13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:12,13,1,26,24,3,18,4,19,7,22,14,10,11,2,17,6,8,5,20,15,21,9,25,23,16/E:(1,2)/rA:26nCCCCCCCCNCCCCCCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;s11;s11;s8;d14;s5s15;s15;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H25NO3
All Atoms:51
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.20219
Area:584.051
Solvation:-5.3991
Coulombic:-28.9831
Bond Count [?]
All:28
Single:20
Double:8
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:351.439
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.92
LogP (Chemaxon):5.21

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Descriptor Annotations

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