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Chemical ID: 4135987

COc1cc(ccc1O)C=NNC(=O)c2ccccc2OCc3ccc(cc3)Cl

Chemical ID:

4135987

Name [?]:

2-[(4-chlorophenyl)methoxy]-N-[(4-hydroxy-3-methoxy-phenyl)methyleneamino]benzamide

SMILES [?]:

COc1cc(ccc1O)C=NNC(=O)c2ccccc2OCc3ccc(cc3)Cl

InChi [?]:

InChI=1/C22H19ClN2O4/c1-28-21-12-16(8-11-19(21)26)13-24-25-22(27)18-4-2-3-5-20(18)29-14-15-6-9-17(23)10-7-15/h2-13,26H,14H2,1H3,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,17,18,16,19,24,28,6,25,27,7,4,10,22,23,5,26,15,8,20,3,13,29,11,12,9,14,2,21/E:(6,7)(9,10)/rA:29nCOCCCCCCOCNNCOCCCCCCOCCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s5;w10;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₉ClN₂O₄
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	8.26826
Area:	646.009
Solvation:	-7.88197
Coulombic:	-50.6038

Bond Count [?]

All:	31
Single:	20
Double:	11
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	410.85
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.75
LogP (Chemaxon):	4.75

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