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Chemical ID: 6908669

COc1ccc(cc1OC)CCNC(=O)COc2c(=O)c3ccccc3oc2c4ccco4

Chemical ID:

6908669

Name [?]:

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(2-furyl)-4-oxo-chromen-3-yl]oxy-acetamide

SMILES [?]:

COc1ccc(cc1OC)CCNC(=O)COc2c(=O)c3ccccc3oc2c4ccco4

InChi [?]:

InChI=1/C25H23NO7/c1-29-19-10-9-16(14-21(19)30-2)11-12-26-22(27)15-32-25-23(28)17-6-3-4-7-18(17)33-24(25)20-8-5-13-31-20/h3-10,13-14H,11-12,15H2,1-2H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,10,23,24,31,22,25,30,5,4,11,12,32,7,16,6,21,26,3,29,8,14,19,28,18,13,15,20,2,9,33,17,27/rA:33nCOCCCCCCOCCCNCOCOCCOCCCCCCOCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;d14;s14;s16;s17;s18;d19;s19;s21;d22;s23;d24;d21s25;s26;d18s27;s28;d29;s30;d31;s29s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₃NO₇
All Atoms:	56
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	7.75768
Area:	693.262
Solvation:	-9.57387
Coulombic:	-67.1392

Bond Count [?]

All:	36
Single:	25
Double:	11
Rotors:	10
Chiral:	0
Rigid Segments:	8

Chemical Properties

Molecular Weight:	449.453
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	3.17
LogP (Chemaxon):	2.76

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