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Chemical ID: 6883491
Chemical ID:
6883491
Name [?]:
2-(3,4-dimethoxyphenyl)-6-methyl-N-(2-pyridyl)chromen-4-imine
SMILES [?]:
Cc1ccc2c(c1)c(=Nc3ccccn3)cc(o2)c4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C23H20N2O3/c1-15-7-9-19-17(12-15)18(25-23-6-4-5-11-24-23)14-21(28-19)16-8-10-20(26-2)22(13-16)27-3/h4-14H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,28,26,12,13,11,3,20,4,21,14,7,24,16,2,19,6,8,5,22,17,23,10,15,9,27,25,18/rA:28nCCCCCCCCNCCCCCNCCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s12;d13;d10s14;s8;d16;s5s17;s17;s19;d20;s21;d22;d19s23;s23;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20N2O3 |
All Atoms: | 48 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.94901 |
Area: | 588.677 |
Solvation: | -5.76792 |
Coulombic: | -33.8923 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.417 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.76 |
LogP (Chemaxon): | 5.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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