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Chemical ID: 4136580

COc1ccccc1C(=O)NN=Cc2ccc(cc2)OC(=O)c3ccc(cc3Cl)Cl

Chemical ID:

4136580

Name [?]:

[4-[(2-methoxybenzoyl)aminoiminomethyl]phenyl] 2,4-dichlorobenzoate

SMILES [?]:

COc1ccccc1C(=O)NN=Cc2ccc(cc2)OC(=O)c3ccc(cc3Cl)Cl

InChi [?]:

InChI=1/C22H16Cl2N2O4/c1-29-20-5-3-2-4-18(20)21(27)26-25-13-14-6-9-16(10-7-14)30-22(28)17-11-8-15(23)12-19(17)24/h2-13H,1H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,6,5,7,4,15,19,25,16,18,24,27,13,14,26,17,23,8,28,3,9,21,30,29,12,11,10,22,2,20/E:(6,7)(9,10)/rA:30nCOCCCCCCCONNCCCCCCCOCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₆Cl₂N₂O₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	10.3111
Area:	661.809
Solvation:	-6.23415
Coulombic:	-46.3356

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	443.279
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.65
LogP (Chemaxon):	5.26

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