Chemical ID: 6907446

COc1ccc(cc1)c2cc(=Nc3cc(ccc3OC)OC)c4cc(ccc4o2)OC
Chemical ID:
6907446
Name [?]:
N-(2,5-dimethoxyphenyl)-6-methoxy-2-(4-methoxyphenyl)-chromen-4-imine
SMILES [?]:
COc1ccc(cc1)c2cc(=Nc3cc(ccc3OC)OC)c4cc(ccc4o2)OC
InChi [?]:
InChI=1/C25H23NO5/c1-27-17-7-5-16(6-8-17)25-15-21(20-13-18(28-2)9-11-23(20)31-25)26-22-14-19(29-3)10-12-24(22)30-4/h5-15H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,22,20,5,7,4,8,26,16,27,17,24,14,10,6,3,25,15,23,11,13,28,18,9,12,2,30,21,19,29/E:(5,6)(7,8)/rA:31nCOCCCCCCCCCNCCCCCCOCOCCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s10;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;s15;s21;s11;s23;d24;s25;d26;d23s27;s9s28;s25;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H23NO5
All Atoms:54
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:8.26448
Area:619.314
Solvation:-7.21836
Coulombic:-42.2538
Bond Count [?]
All:34
Single:23
Double:11
Rotors:6
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:417.454
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.95
LogP (Chemaxon):5.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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