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Chemical ID: 6666101
Chemical ID:
6666101
Name [?]:
1-(3,4-dimethoxyphenyl)-N-[4-[(3,4-dimethoxyphenyl)methyleneamino]phenyl]-methanimine
SMILES [?]:
COc1ccc(cc1OC)C=Nc2ccc(cc2)N=Cc3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C24H24N2O4/c1-27-21-11-5-17(13-23(21)29-3)15-25-19-7-9-20(10-8-19)26-16-18-6-12-22(28-2)24(14-18)30-4/h5-16H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,30,10,28,5,22,14,18,15,17,4,23,7,26,11,20,6,21,13,16,3,24,8,25,12,19,2,29,9,27/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30)/rA:30nCOCCCCCCOCCNCCCCCCNCCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;w11;s12;s13;d14;s15;d16;d13s17;s16;w19;s20;s21;d22;s23;d24;d21s25;s25;s27;s24;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O4 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.15361 |
Area: | 568.464 |
Solvation: | -9.058 |
Coulombic: | -38.3872 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 2 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 404.458 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.85 |
LogP (Chemaxon): | 5.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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