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Chemical ID: 6627824

CCc1ccc(cc1)OCC(=O)NN=Cc2cccc(c2)OC(=O)c3ccc(cc3)Cl

Chemical ID:

6627824

Name [?]:

[3-[[2-(4-ethylphenoxy)acetyl]aminoiminomethyl]phenyl] 4-chlorobenzoate

SMILES [?]:

CCc1ccc(cc1)OCC(=O)NN=Cc2cccc(c2)OC(=O)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C24H21ClN2O4/c1-2-17-6-12-21(13-7-17)30-16-23(28)27-26-15-18-4-3-5-22(14-18)31-24(29)19-8-10-20(25)11-9-19/h3-15H,2,16H2,1H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,2,18,17,19,4,8,26,30,27,29,5,7,21,15,10,3,16,25,28,6,20,11,23,31,14,13,12,24,9,22/E:(6,7)(8,9)(10,11)(12,13)/rA:31nCCCCCCCCOCCONNCCCCCCCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;d23;s23;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁ClN₂O₄
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	11.5672
Area:	709.895
Solvation:	-6.18019
Coulombic:	-47.3717

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	436.887
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.7
LogP (Chemaxon):	5.63

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