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Chemical ID: 6650613

COc1cccc(c1)COc2ccccc2C=NNC(=O)C(=O)Nc3ccc(cc3)F

Chemical ID:

6650613

Name [?]:

N'-(4-fluorophenyl)-N-[[2-[(3-methoxyphenyl)methoxy]phenyl]methyleneamino]oxamide

SMILES [?]:

COc1cccc(c1)COc2ccccc2C=NNC(=O)C(=O)Nc3ccc(cc3)F

InChi [?]:

InChI=1/C23H20FN3O4/c1-30-20-7-4-5-16(13-20)15-31-21-8-3-2-6-17(21)14-25-27-23(29)22(28)26-19-11-9-18(24)10-12-19/h2-14H,15H2,1H3,(H,26,28)(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,14,13,5,6,15,4,12,27,29,26,30,8,17,9,7,16,28,25,3,11,22,20,31,18,24,19,23,21,2,10/E:(9,10)(11,12)/rA:31nCOCCCCCCCOCCCCCCCNNCOCONCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;d12;s13;d14;d11s15;s16;w17;s18;s19;d20;s20;d22;s22;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₀FN₃O₄
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3579
Area:	662.104
Solvation:	-6.19474
Coulombic:	-63.8227

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	421.421
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	4.73
LogP (Chemaxon):	4.39

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