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Chemical ID: 6847017

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCC(=O)Nc4ccc(c(c4)OC)OC)C

Chemical ID:

6847017

Name [?]:

2-[2-(2-chlorophenyl)-6,8-dimethyl-4-oxo-chromen-3-yl]oxy-N-(3,4-dimethoxyphenyl)-acetamide

SMILES [?]:

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccccc3Cl)OCC(=O)Nc4ccc(c(c4)OC)OC)C

InChi [?]:

InChI=1/C27H24ClNO6/c1-15-11-16(2)25-19(12-15)24(31)27(26(35-25)18-7-5-6-8-20(18)28)34-14-23(30)29-17-9-10-21(32-3)22(13-17)33-4/h5-13H,14H2,1-4H3,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,35,34,32,15,16,14,17,26,27,3,7,30,21,2,4,25,13,6,18,28,29,22,8,5,11,10,19,24,23,9,33,31,20,12/rA:35nCCCCCCCCOCCOCCCCCCClOCCONCCCCCCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s18;s10;s20;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s29;s31;s28;s33;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₄ClNO₆
All Atoms:	59
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	9.92899
Area:	713.705
Solvation:	-7.91362
Coulombic:	-60.8426

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	493.935
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	5.46
LogP (Chemaxon):	5.4

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