Chemical ID: 4943690

CCOC(=O)N1C(C=CC(N1C(=O)OCC)c2ccccc2)c3ccccc3
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

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