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Chemical ID: 6675825

COc1ccc(cc1)C=NNC(=O)c2ccccc2NC(=O)c3ccccc3Cl

Chemical ID:

6675825

Name [?]:

2-(2-chlorobenzoyl)amino-N-[(4-methoxyphenyl)methyleneamino]benzamide

SMILES [?]:

COc1ccc(cc1)C=NNC(=O)c2ccccc2NC(=O)c3ccccc3Cl

InChi [?]:

InChI=1/C22H18ClN3O3/c1-29-16-12-10-15(11-13-16)14-24-26-22(28)18-7-3-5-9-20(18)25-21(27)17-6-2-4-8-19(17)23/h2-14H,1H3,(H,25,27)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,25,16,26,17,24,15,27,18,5,7,4,8,9,6,3,23,14,28,19,21,12,29,10,20,11,22,13,2/E:(10,11)(12,13)/rA:29nCOCCCCCCCNNCOCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈ClN₃O₃
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4202
Area:	614.38
Solvation:	-4.9393
Coulombic:	-50.0307

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	407.849
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	5.93
LogP (Chemaxon):	5.21

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