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Chemical ID: 4136719

CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)COc3ccc(cc3)F

Chemical ID:

4136719

Name [?]:

N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyleneamino]-2-(4-fluorophenoxy)-acetamide

SMILES [?]:

CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)COc3ccc(cc3)F

InChi [?]:

InChI=1/C24H22ClFN2O4/c1-2-30-23-13-18(5-12-22(23)32-15-17-3-6-19(25)7-4-17)14-27-28-24(29)16-31-21-10-8-20(26)9-11-21/h3-14H,2,15-16H2,1H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,2,13,17,7,14,16,28,30,27,31,8,5,19,11,24,12,6,15,29,26,9,4,22,18,32,20,21,23,3,25,10/E:(3,4)(6,7)(8,9)(10,11)/rA:32nCCOCCCCCCOCCCCCCCClCNNCOCOCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;w19;s20;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₂ClFN₂O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	7.86306
Area:	722.576
Solvation:	-10.2013
Coulombic:	-43.9964

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	11
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	456.894
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.15
LogP (Chemaxon):	5.29

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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