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Chemical ID: 6627583

CCc1ccc(cc1)OCC(=O)NN=Cc2ccc(cc2)OCc3ccc(cc3)Cl

Chemical ID:

6627583

Name [?]:

N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyleneamino]-2-(4-ethylphenoxy)-acetamide

SMILES [?]:

CCc1ccc(cc1)OCC(=O)NN=Cc2ccc(cc2)OCc3ccc(cc3)Cl

InChi [?]:

InChI=1/C24H23ClN2O3/c1-2-18-5-11-23(12-6-18)30-17-24(28)27-26-15-19-7-13-22(14-8-19)29-16-20-3-9-21(25)10-4-20/h3-15H,2,16-17H2,1H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,2,25,29,4,8,17,21,26,28,5,7,18,20,15,23,10,3,16,24,27,19,6,11,30,14,13,12,22,9/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30nCCCCCCCCOCCONNCCCCCCCOCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃ClN₂O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3863
Area:	697.834
Solvation:	-7.05959
Coulombic:	-35.3954

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	422.904
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.82
LogP (Chemaxon):	5.92

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

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

Chemical Mix	Source	External ID	Descriptor	Value