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Chemical ID: 5844439

c1ccc(cc1)CC(=O)NN=Cc2ccc(cc2)OC(=O)c3ccccc3

Chemical ID:

5844439

Name [?]:

[4-[(2-phenylacetyl)aminoiminomethyl]phenyl] benzoate

SMILES [?]:

c1ccc(cc1)CC(=O)NN=Cc2ccc(cc2)OC(=O)c3ccccc3

InChi [?]:

InChI=1/C22H18N2O3/c25-21(15-17-7-3-1-4-8-17)24-23-16-18-11-13-20(14-12-18)27-22(26)19-9-5-2-6-10-19/h1-14,16H,15H2,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,25,2,6,24,26,3,5,23,27,14,18,15,17,7,12,4,13,22,16,8,20,11,10,9,21,19/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:27nCCCCCCCCONNCCCCCCCOCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;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:	10.5488
Area:	603.721
Solvation:	-4.54421
Coulombic:	-40.1323

Bond Count [?]

All:	29
Single:	17
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	358.39
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.31
LogP (Chemaxon):	4.59

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