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Chemical ID: 4943690
Chemical ID:
4943690
Name [?]:
diethyl 3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate
SMILES [?]:
CCOC(=O)N1C(C=CC(N1C(=O)OCC)c2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C22H24N2O4/c1-3-27-21(25)23-19(17-11-7-5-8-12-17)15-16-20(18-13-9-6-10-14-18)24(23)22(26)28-4-2/h5-16,19-20H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,2,15,26,20,25,27,19,21,24,28,18,22,8,9,23,17,7,10,4,12,6,11,5,13,3,14/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)/rA:28cCCOCONCCCCNCOOCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;s6s10;s11;d12;s12;s14;s15;s10;s17;d18;s19;d20;d17s21;s7;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24N2O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.8495 |
Area: | 559.703 |
Solvation: | -3.14313 |
Coulombic: | -57.6919 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 380.437 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.1 |
LogP (Chemaxon): | 5.06 |
Name Annotations
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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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