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Chemical ID: 6647030

Cc1ccccc1C(=O)Oc2ccc(cc2)C=NNC(=O)c3ccc(cc3)F

Chemical ID:

6647030

Name [?]:

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

SMILES [?]:

Cc1ccccc1C(=O)Oc2ccc(cc2)C=NNC(=O)c3ccc(cc3)F

InChi [?]:

InChI=1/C22H17FN2O3/c1-15-4-2-3-5-20(15)22(27)28-19-12-6-16(7-13-19)14-24-25-21(26)17-8-10-18(23)11-9-17/h2-14H,1H3,(H,25,26)

InChi Info:

AuxInfo=1/1/N:1,4,5,3,6,13,15,23,27,24,26,12,16,17,2,14,22,25,11,7,20,8,28,18,19,21,9,10/E:(6,7)(8,9)(10,11)(12,13)/rA:28nCCCCCCCCOOCCCCCCCNNCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₇FN₂O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.2018
Area:	593.566
Solvation:	-4.6374
Coulombic:	-44.6006

Bond Count [?]

All:	30
Single:	18
Double:	12
Rotors:	7
Chiral:	1
Rigid Segments:	6

Chemical Properties

Molecular Weight:	376.38
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	6.09
LogP (Chemaxon):	5.08

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