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Chemical ID: 6650127

Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)Cc3ccccc3

Chemical ID:

6650127

Name [?]:

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

SMILES [?]:

Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)Cc3ccccc3

InChi [?]:

InChI=1/C23H20N2O3/c1-17-7-11-20(12-8-17)23(27)28-21-13-9-19(10-14-21)16-24-25-22(26)15-18-5-3-2-4-6-18/h2-14,16H,15H2,1H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,26,25,27,24,28,3,7,13,15,4,6,12,16,22,17,2,23,14,5,11,20,8,18,19,21,9,10/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:28nCCCCCCCCOOCCCCCCCNNCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₀N₂O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	11.071
Area:	626.953
Solvation:	-4.60288
Coulombic:	-39.8632

Bond Count [?]

All:	30
Single:	18
Double:	12
Rotors:	8
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	372.417
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.74
LogP (Chemaxon):	5.05

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