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Chemical ID: 4136720

Cc1ccc(cc1)COc2ccc(cc2)C=NNC(=O)C(C)Oc3cccc(c3)Cl

Chemical ID:

4136720

Name [?]:

2-(3-chlorophenoxy)-N-[[4-(p-tolylmethoxy)phenyl]methyleneamino]propanamide

SMILES [?]:

Cc1ccc(cc1)COc2ccc(cc2)C=NNC(=O)C(C)Oc3cccc(c3)Cl

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,22,26,27,25,3,7,4,6,12,14,11,15,29,16,8,2,21,13,5,28,10,24,19,30,17,18,20,9,23/E:(6,7)(8,9)(10,11)(12,13)/rA:30cCCCCCCCCOCCCCCCCNNCOCCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s19;s21;s21;s23;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃ClN₂O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	10.5083
Area:	682.806
Solvation:	-6.56182
Coulombic:	-36.1402

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	422.904
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.89
LogP (Chemaxon):	6.06

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