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Chemical ID: 7021218

Cc1cc(ccc1OC(C)C(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3ccc(c(c3)OC)OC)Cl

Chemical ID:

7021218

Name [?]:

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

SMILES [?]:

Cc1cc(ccc1OC(C)C(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3ccc(c(c3)OC)OC)Cl

InChi [?]:

InChI=1/C27H27ClN2O7/c1-16-12-20(28)8-11-21(16)36-17(2)26(31)30-29-15-18-6-9-23(24(13-18)34-4)37-27(32)19-7-10-22(33-3)25(14-19)35-5/h6-15,17H,1-5H3,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,10,36,23,34,17,28,5,18,29,6,3,21,32,15,2,9,16,27,4,7,30,19,20,31,11,25,37,14,13,12,26,35,22,33,8,24/rA:37cCCCCCCCOCCCONNCCCCCCCOCOCOCCCCCCOCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s9;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;d25;s25;s27;d28;s29;d30;d27s31;s31;s33;s30;s35;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₇ClN₂O₇
All Atoms:	64
Heavy Atoms:	37
Chiral Atoms:	1

ZAP Information [?]

Total:	9.42647
Area:	808.743
Solvation:	-10.7921
Coulombic:	-66.8012

Bond Count [?]

All:	39
Single:	27
Double:	12
Rotors:	12
Chiral:	1
Rigid Segments:	10

Chemical Properties

Molecular Weight:	526.965
H-Bond Donors:	1
H-Bond Acceptors:	9
XLogP:	5.76
LogP (Chemaxon):	5.01

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