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Chemical ID: 6621362

CCc1ccc(cc1)OCC(=O)NN=Cc2ccc(cc2)OC(=O)c3ccccc3Cl

Chemical ID:

6621362

Name [?]:

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

SMILES [?]:

CCc1ccc(cc1)OCC(=O)NN=Cc2ccc(cc2)OC(=O)c3ccccc3Cl

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,2,27,28,26,29,4,8,17,21,5,7,18,20,15,10,3,16,6,19,25,30,11,23,31,14,13,12,24,9,22/E:(7,8)(9,10)(11,12)(13,14)/rA:31nCCCCCCCCOCCONNCCCCCCCOCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;d23;s23;s25;d26;s27;d28;d25s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	11.0351
Area:	694.459
Solvation:	-6.32642
Coulombic:	-47.0858

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