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Chemical ID: 4128370

COc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3cccc(c3Cl)Cl

Chemical ID:

4128370

Name [?]:

[4-[[2-(2,3-dichlorophenoxy)acetyl]aminoiminomethyl]phenyl] 4-methoxybenzoate

SMILES [?]:

COc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3cccc(c3Cl)Cl

InChi [?]:

InChI=1/C23H18Cl2N2O5/c1-30-17-11-7-16(8-12-17)23(29)32-18-9-5-15(6-10-18)13-26-27-21(28)14-31-20-4-2-3-19(24)22(20)25/h2-13H,14H2,1H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,27,28,26,14,16,5,7,13,17,4,8,18,23,15,6,3,12,29,25,21,30,9,32,31,19,20,22,10,2,24,11/E:(5,6)(7,8)(9,10)(11,12)/rA:32nCOCCCCCCCOOCCCCCCCNNCOCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;w18;s19;s20;d21;s21;s23;s24;s25;d26;s27;d28;d25s29;s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₈Cl₂N₂O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.109
Area:	724.77
Solvation:	-8.0103
Coulombic:	-53.2555

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	473.305
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	6.34
LogP (Chemaxon):	5.03

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