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Chemical ID: 6847053

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCC(=O)Nc4ccccc4Cl)C

Chemical ID:

6847053

Name [?]:

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

SMILES [?]:

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(cc3)OC)OCC(=O)Nc4ccccc4Cl)C

InChi [?]:

InChI=1/C26H22ClNO5/c1-15-12-16(2)24-19(13-15)23(30)26(25(33-24)17-8-10-18(31-3)11-9-17)32-14-22(29)28-21-7-5-4-6-20(21)27/h4-13H,14H2,1-3H3,(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,33,20,29,28,30,27,14,18,15,17,3,7,22,2,4,13,16,6,31,26,23,8,5,11,10,32,25,24,9,19,21,12/E:(8,9)(10,11)/rA:33nCCCCCCCCOCCOCCCCCCOCOCCONCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s10;s21;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s31;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₆H₂₂ClNO₅
All Atoms:	55
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7028
Area:	690.819
Solvation:	-5.56768
Coulombic:	-55.5541

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	463.909
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.81
LogP (Chemaxon):	5.0

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