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Chemical ID: 6631974

CCOc1ccc(cc1)NC(=O)C(=O)NN=Cc2c3ccccc3ccc2OCc4ccc(cc4)F

Chemical ID:

6631974

Name [?]:

N-(4-ethoxyphenyl)-N'-[[2-[(4-fluorophenyl)methoxy]-1-naphthyl]methyleneamino]oxamide

SMILES [?]:

CCOc1ccc(cc1)NC(=O)C(=O)NN=Cc2c3ccccc3ccc2OCc4ccc(cc4)F

InChi [?]:

InChI=1/C28H24FN3O4/c1-2-35-23-14-12-22(13-15-23)31-27(33)28(34)32-30-17-25-24-6-4-3-5-20(24)9-16-26(25)36-18-19-7-10-21(29)11-8-19/h3-17H,2,18H2,1H3,(H,31,33)(H,32,34)

InChi Info:

AuxInfo=1/1/N:1,2,22,21,23,20,31,35,25,32,34,6,8,5,9,26,17,29,30,24,33,7,4,19,18,27,11,13,36,16,10,15,12,14,3,28/E:(7,8)(10,11)(12,13)(14,15)/rA:36nCCOCCCCCCNCOCONNCCCCCCCCCCCOCCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;d13;s13;s15;w16;s17;s18;s19;d20;s21;d22;d19s23;s24;d25;d18s26;s27;s28;s29;s30;d31;s32;d33;d30s34;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₄FN₃O₄
All Atoms:	36
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	11.1449
Area:	708.43
Solvation:	-6.56585
Coulombic:	-64.2218

Bond Count [?]

All:	39
Single:	25
Double:	14
Rotors:	11
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	485.506
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	6.41
LogP (Chemaxon):	5.74

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