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Chemical ID: 7234966
Chemical ID:
7234966
Name [?]:
diethyl 2,5-dianilinobenzene-1,4-dicarboxylate
SMILES [?]:
CCOC(=O)c1cc(c(cc1Nc2ccccc2)C(=O)OCC)Nc3ccccc3
InChi [?]:
InChI=1/C24H24N2O4/c1-3-29-23(27)19-15-22(26-18-13-9-6-10-14-18)20(24(28)30-4-2)16-21(19)25-17-11-7-5-8-12-17/h5-16,25-26H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,23,2,22,16,28,15,17,27,29,14,18,26,30,7,10,13,25,6,9,11,8,4,19,12,24,5,20,3,21/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:30nCCOCOCCCCCCNCCCCCCCOOCCNCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;s13;d14;s15;d16;d13s17;s9;d19;s19;s21;s22;s8;s24;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O4 |
All Atoms: | 54 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.5373 |
Area: | 640.663 |
Solvation: | -3.47932 |
Coulombic: | -62.8868 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.6 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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