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Chemical ID: 6854169
Chemical ID:
6854169
Name [?]:
N-benzyl-6-ethyl-2-(4-methoxyphenyl)-chromen-4-imine
SMILES [?]:
CCc1ccc2c(c1)c(=NCc3ccccc3)cc(o2)c4ccc(cc4)OC
InChi [?]:
InChI=1/C25H23NO2/c1-3-18-9-14-24-22(15-18)23(26-17-19-7-5-4-6-8-19)16-25(28-24)20-10-12-21(27-2)13-11-20/h4-16H,3,17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,2,15,14,16,13,17,4,22,26,23,25,5,8,18,11,3,12,21,24,7,9,6,19,10,27,20/E:(5,6)(7,8)(10,11)(12,13)/rA:28nCCCCCCCCCNCCCCCCCCCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;s12;d13;s14;d15;d12s16;s9;d18;s6s19;s19;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H23NO2 |
All Atoms: | 51 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4431 |
Area: | 609.069 |
Solvation: | -3.78362 |
Coulombic: | -24.1512 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 369.456 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.02 |
LogP (Chemaxon): | 6.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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