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Chemical ID: 5581276

Cc1cccc(c1)NC(=O)COC(=O)c2cc(c(cc2NC(=O)c3ccco3)OC)OC

Chemical ID:

5581276

Name [?]:

m-tolylcarbamoylmethyl 2-(2-furylcarbonylamino)-4,5-dimethoxy-benzoate

SMILES [?]:

Cc1cccc(c1)NC(=O)COC(=O)c2cc(c(cc2NC(=O)c3ccco3)OC)OC

InChi [?]:

InChI=1/C23H22N2O7/c1-14-6-4-7-15(10-14)24-21(26)13-32-23(28)16-11-19(29-2)20(30-3)12-17(16)25-22(27)18-8-5-9-31-18/h4-12H,13H2,1-3H3,(H,24,26)(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,32,30,4,26,3,5,25,27,7,16,19,11,2,6,15,20,24,17,18,9,22,13,8,21,10,23,14,31,29,28,12/rA:32nCCCCCCCNCOCOCOCCCCCCNCOCCCCOOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;s21;d22;s22;d24;s25;d26;s24s27;s18;s29;s17;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₂N₂O₇
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	9.20844
Area:	674.471
Solvation:	-7.65333
Coulombic:	-82.9423

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	438.43
H-Bond Donors:	2
H-Bond Acceptors:	8
XLogP:	2.8
LogP (Chemaxon):	3.29

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