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Chemical ID: 6650164

Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3cccc(c3)Cl

Chemical ID:

6650164

Name [?]:

[4-[[2-(3-chlorophenoxy)acetyl]aminoiminomethyl]phenyl] 4-methylbenzoate

SMILES [?]:

Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)COc3cccc(c3)Cl

InChi [?]:

InChI=1/C23H19ClN2O4/c1-16-5-9-18(10-6-16)23(28)30-20-11-7-17(8-12-20)14-25-26-22(27)15-29-21-4-2-3-19(24)13-21/h2-14H,15H2,1H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,26,27,25,3,7,13,15,4,6,12,16,29,17,22,2,14,5,28,11,24,20,8,30,18,19,21,9,23,10/E:(5,6)(7,8)(9,10)(11,12)/rA:30nCCCCCCCCOOCCCCCCCNNCOCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;s19;d20;s20;s22;s23;s24;d25;s26;d27;d24s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₉ClN₂O₄
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	10.812
Area:	683.499
Solvation:	-6.27553
Coulombic:	-47.0208

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	9
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	422.861
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.24
LogP (Chemaxon):	5.23

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value