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Chemical ID: 5603380

c1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc(cc3)Cl

Chemical ID:

5603380

Name [?]:

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

SMILES [?]:

c1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3ccc(cc3)Cl

InChi [?]:

InChI=1/C22H17ClN2O4/c23-18-8-12-19(13-9-18)28-15-21(26)25-24-14-16-6-10-20(11-7-16)29-22(27)17-4-2-1-3-5-17/h1-14H,15H2,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,12,14,25,27,11,15,24,28,16,21,13,4,26,23,10,19,7,29,17,18,20,8,22,9/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:29nCCCCCCCOOCCCCCCCNNCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₇ClN₂O₄
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2582
Area:	661.282
Solvation:	-6.27383
Coulombic:	-47.2044

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	408.834
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.8
LogP (Chemaxon):	4.76

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