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Chemical ID: 6654265

Chemical ID:

6654265

Name [?]:

ethyl 3-methyl-5,6-diphenyl-pyridazine-4-carboxylate

SMILES [?]:

CCOC(=O)c1c(nnc(c1c2ccccc2)c3ccccc3)C

InChi [?]:

InChI=1/C20H18N2O2/c1-3-24-20(23)17-14(2)21-22-19(16-12-8-5-9-13-16)18(17)15-10-6-4-7-11-15/h4-13H,3H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,24,2,15,21,14,16,20,22,13,17,19,23,7,12,18,6,11,10,4,8,9,5,3/E:(6,7)(8,9)(10,11)(12,13)/rA:24nCCOCOCCNNCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;s14;d15;d12s16;s10;s18;d19;s20;d21;d18s22;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₈N₂O₂
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4186
Area:	509.406
Solvation:	-2.31656
Coulombic:	-25.7623

Bond Count [?]

All:	26
Single:	16
Double:	10
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	318.369
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	4.58
LogP (Chemaxon):	3.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value