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Chemical ID: 6987188

Cc1cc(ccc1Cl)OCC(=O)NN=Cc2cccc(c2)OCc3ccccc3

Chemical ID:

6987188

Name [?]:

N-[(3-benzyloxyphenyl)methyleneamino]-2-(4-chloro-3-methyl-phenoxy)-acetamide

SMILES [?]:

Cc1cc(ccc1Cl)OCC(=O)NN=Cc2cccc(c2)OCc3ccccc3

InChi [?]:

InChI=1/C23H21ClN2O3/c1-17-12-21(10-11-22(17)24)29-16-23(27)26-25-14-19-8-5-9-20(13-19)28-15-18-6-3-2-4-7-18/h2-14H,15-16H2,1H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,27,26,28,18,25,29,17,19,5,6,3,21,15,23,10,2,24,16,20,4,7,11,8,14,13,12,22,9/E:(3,4)(6,7)/rA:29nCCCCCCCClOCCONNCCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₁ClN₂O₃
All Atoms:	50
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	9.98382
Area:	681.978
Solvation:	-7.06562
Coulombic:	-35.2122

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	408.877
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.15
LogP (Chemaxon):	5.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value