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Chemical ID: 5844963

COc1cc(ccc1OC(=O)c2ccccc2Cl)C=NNC(=O)COc3ccccc3Cl

Chemical ID:

5844963

Name [?]:

[4-[[2-(2-chlorophenoxy)acetyl]aminoiminomethyl]-2-methoxy-phenyl] 2-chlorobenzoate

SMILES [?]:

COc1cc(ccc1OC(=O)c2ccccc2Cl)C=NNC(=O)COc3ccccc3Cl

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,14,15,29,28,13,16,30,27,6,7,4,19,24,5,12,17,31,26,8,3,22,10,18,32,20,21,23,11,2,25,9/rA:32nCOCCCCCCOCOCCCCCCClCNNCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s5;w19;s20;s21;d22;s22;s24;s25;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	9.91541
Area:	708.613
Solvation:	-7.79992
Coulombic:	-54.2519

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:	6.07
LogP (Chemaxon):	5.03

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

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