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Chemical ID: 6628271

CCOc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)COc3cccc(c3)Cl

Chemical ID:

6628271

Name [?]:

[4-[[2-(3-chlorophenoxy)acetyl]aminoiminomethyl]-2-ethoxy-phenyl] benzoate

SMILES [?]:

CCOc1cc(ccc1OC(=O)c2ccccc2)C=NNC(=O)COc3cccc(c3)Cl

InChi [?]:

InChI=1/C24H21ClN2O5/c1-2-30-22-13-17(11-12-21(22)32-24(29)18-7-4-3-5-8-18)15-26-27-23(28)16-31-20-10-6-9-19(25)14-20/h3-15H,2,16H2,1H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,2,16,15,17,28,14,18,29,27,7,8,5,31,19,24,6,13,30,26,9,4,22,11,32,20,21,23,12,3,25,10/E:(4,5)(7,8)/rA:32nCCOCCCCCCOCOCCCCCCCNNCOCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s6;w19;s20;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁ClN₂O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	10.5903
Area:	719.854
Solvation:	-7.40607
Coulombic:	-54.604

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	11
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	452.887
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	5.87
LogP (Chemaxon):	4.85

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