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Chemical ID: 4136877

CC(C(=O)NN=Cc1ccc(cc1)OCc2ccc(cc2)Cl)Oc3cccc(c3)Cl

Chemical ID:

4136877

Name [?]:

2-(3-chlorophenoxy)-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyleneamino]propanamide

SMILES [?]:

CC(C(=O)NN=Cc1ccc(cc1)OCc2ccc(cc2)Cl)Oc3cccc(c3)Cl

InChi [?]:

InChI=1/C23H20Cl2N2O3/c1-16(30-22-4-2-3-20(25)13-22)23(28)27-26-14-17-7-11-21(12-8-17)29-15-18-5-9-19(24)10-6-18/h2-14,16H,15H2,1H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,26,27,25,17,21,9,13,18,20,10,12,29,7,15,2,8,16,19,28,11,24,3,22,30,6,5,4,14,23/E:(5,6)(7,8)(9,10)(11,12)/rA:30cCCCONNCCCCCCCOCCCCCCCClOCCCCCCCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;s19;s2;s23;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₀Cl₂N₂O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	1

ZAP Information [?]

Total:	11.2188
Area:	706.591
Solvation:	-6.44593
Coulombic:	-36.5649

Bond Count [?]

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

Chemical Properties

Molecular Weight:	443.322
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	7.07
LogP (Chemaxon):	6.11

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