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Chemical ID: 4715790

Chemical ID:

4715790

Name [?]:

(4-methoxyphenyl)-[6-(4-methoxyphenyl)-3-pyridyl]-methanone

SMILES [?]:

COc1ccc(cc1)c2ccc(cn2)C(=O)c3ccc(cc3)OC

InChi [?]:

InChI=1/C20H17NO3/c1-23-17-8-3-14(4-9-17)19-12-7-16(13-21-19)20(22)15-5-10-18(24-2)11-6-15/h3-13H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,24,5,7,18,22,11,4,8,19,21,10,13,6,17,12,3,20,9,15,14,16,2,23/E:(3,4)(5,6)(8,9)(10,11)/rA:24nCOCCCCCCCCCCCNCOCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₇NO₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	8.42564
Area:	532.118
Solvation:	-4.87732
Coulombic:	-29.5158

Bond Count [?]

All:	26
Single:	16
Double:	10
Rotors:	5
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	319.354
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.18
LogP (Chemaxon):	3.53

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value