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Chemical ID: 4129763

Cc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3ccccc3Cl

Chemical ID:

4129763

Name [?]:

[2-methoxy-4-[[2-(4-methylphenoxy)acetyl]aminoiminomethyl]phenyl] 2-chlorobenzoate

SMILES [?]:

Cc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3ccccc3Cl

InChi [?]:

InChI=1/C24H21ClN2O5/c1-16-7-10-18(11-8-16)31-15-23(28)27-26-14-17-9-12-21(22(13-17)30-2)32-24(29)19-5-3-4-6-20(19)25/h3-14H,15H2,1-2H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,22,28,29,27,30,3,7,16,4,6,17,20,14,9,2,15,5,26,31,18,19,10,24,32,13,12,11,25,21,8,23/E:(7,8)(10,11)/rA:32nCCCCCCCOCCONNCCCCCCCOCOCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;d24;s24;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁ClN₂O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	9.94821
Area:	700.751
Solvation:	-7.57057
Coulombic:	-53.8726

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	452.887
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	5.88
LogP (Chemaxon):	4.98

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