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Chemical ID: 6577653

COc1ccc(cc1OC)NC(=O)COC(=O)c2cc(c(cc2NC(=O)c3ccco3)OC)OC

Chemical ID:

6577653

Name [?]:

(3,4-dimethoxyphenyl)carbamoylmethyl 2-(2-furylcarbonylamino)-4,5-dimethoxy-benzoate

SMILES [?]:

COc1ccc(cc1OC)NC(=O)COC(=O)c2cc(c(cc2NC(=O)c3ccco3)OC)OC

InChi [?]:

InChI=1/C24H24N2O9/c1-30-17-8-7-14(10-19(17)31-2)25-22(27)13-35-24(29)15-11-20(32-3)21(33-4)12-16(15)26-23(28)18-6-5-9-34-18/h5-12H,13H2,1-4H3,(H,25,27)(H,26,28)

InChi Info:

AuxInfo=1/1/N:1,10,35,33,29,28,5,4,30,7,19,22,14,6,18,23,3,27,8,20,21,12,25,16,11,24,13,26,17,2,9,34,32,31,15/rA:35nCOCCCCCCOCNCOCOCOCCCCCCNCOCCCCOOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s23;s24;d25;s25;d27;s28;d29;s27s30;s21;s32;s20;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₄N₂O₉
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	7.14391
Area:	728.758
Solvation:	-11.075
Coulombic:	-95.393

Bond Count [?]

All:	37
Single:	26
Double:	11
Rotors:	13
Chiral:	0
Rigid Segments:	11

Chemical Properties

Molecular Weight:	484.455
H-Bond Donors:	2
H-Bond Acceptors:	10
XLogP:	1.92
LogP (Chemaxon):	2.32

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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