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Chemical ID: 6627687

Cc1ccc(cc1)C(=O)NN=Cc2ccc(cc2)OC(=O)c3ccc(c(c3)OC)OC

Chemical ID:

6627687

Name [?]:

[4-[(4-methylbenzoyl)aminoiminomethyl]phenyl] 3,4-dimethoxybenzoate

SMILES [?]:

Cc1ccc(cc1)C(=O)NN=Cc2ccc(cc2)OC(=O)c3ccc(c(c3)OC)OC

InChi [?]:

InChI=1/C24H22N2O5/c1-16-4-8-18(9-5-16)23(27)26-25-15-17-6-11-20(12-7-17)31-24(28)19-10-13-21(29-2)22(14-19)30-3/h4-15H,1-3H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,31,29,3,7,14,18,4,6,23,15,17,24,27,12,2,13,5,22,16,25,26,8,20,11,10,9,21,30,28,19/E:(4,5)(6,7)(8,9)(11,12)/rA:31nCCCCCCCCONNCCCCCCCOCOCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;s19;d20;s20;s22;d23;s24;d25;d22s26;s26;s28;s25;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₂N₂O₅
All Atoms:	31
Heavy Atoms:	31
Chiral Atoms:	0

ZAP Information [?]

Total:	9.5081
Area:	667.09
Solvation:	-7.16915
Coulombic:	-53.7921

Bond Count [?]

All:	33
Single:	21
Double:	12
Rotors:	9
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	418.442
H-Bond Donors:	1
H-Bond Acceptors:	7
XLogP:	5.49
LogP (Chemaxon):	4.43

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