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Chemical ID: 6650143

Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)c3ccccc3

Chemical ID:

6650143

Name [?]:

[4-(benzamidoiminomethyl)phenyl] 4-methylbenzoate

SMILES [?]:

Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)c3ccccc3

InChi [?]:

InChI=1/C22H18N2O3/c1-16-7-11-19(12-8-16)22(26)27-20-13-9-17(10-14-20)15-23-24-21(25)18-5-3-2-4-6-18/h2-15H,1H3,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,25,24,26,23,27,3,7,13,15,4,6,12,16,17,2,14,22,5,11,20,8,18,19,21,9,10/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCCOOCCCCCCCNNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈N₂O₃
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	11.2057
Area:	595.442
Solvation:	-3.68032
Coulombic:	-42.024

Bond Count [?]

All:	29
Single:	17
Double:	12
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	358.39
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.93
LogP (Chemaxon):	4.94

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