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Chemical ID: 7021217

Cc1cc(ccc1OCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3ccc(c(c3)OC)OC)Cl

Chemical ID:

7021217

Name [?]:

[4-[[2-(4-chloro-2-methyl-phenoxy)acetyl]aminoiminomethyl]-2-methoxy-phenyl] 3,4-dimethoxybenzoate

SMILES [?]:

Cc1cc(ccc1OCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3ccc(c(c3)OC)OC)Cl

InChi [?]:

InChI=1/C26H25ClN2O7/c1-16-11-19(27)7-10-20(16)35-15-25(30)29-28-14-17-5-8-22(23(12-17)33-3)36-26(31)18-6-9-21(32-2)24(13-18)34-4/h5-14H,15H2,1-4H3,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,35,22,33,16,27,5,17,28,6,3,20,31,14,9,2,15,26,4,7,29,18,19,30,10,24,36,13,12,11,25,34,21,32,8,23/rA:36nCCCCCCCOCCONNCCCCCCCOCOCOCCCCCCOCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;d24;s24;s26;d27;s28;d29;d26s30;s30;s32;s29;s34;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₅ClN₂O₇
All Atoms:	61
Heavy Atoms:	36
Chiral Atoms:	0

ZAP Information [?]

Total:	8.62865
Area:	794.358
Solvation:	-11.2303
Coulombic:	-65.964

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	12
Chiral:	1
Rigid Segments:	10

Chemical Properties

Molecular Weight:	512.939
H-Bond Donors:	1
H-Bond Acceptors:	9
XLogP:	5.23
LogP (Chemaxon):	4.47

Name Annotations

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

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