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Chemical ID: 6847115

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(c(c3)OC)OC)OCC(=O)Nc4cccc(c4)Cl)C

Chemical ID:

6847115

Name [?]:

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

SMILES [?]:

Cc1cc(c2c(c1)c(=O)c(c(o2)c3ccc(c(c3)OC)OC)OCC(=O)Nc4cccc(c4)Cl)C

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,35,22,20,30,31,29,14,15,3,7,18,33,24,2,4,13,32,28,6,16,17,25,8,5,11,10,34,27,26,9,21,19,23,12/rA:35nCCCCCCCCOCCOCCCCCCOCOCOCCONCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s10;s23;s24;d25;s25;s27;s28;d29;s30;d31;d28s32;s32;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	9.99283
Area:	723.281
Solvation:	-8.08918
Coulombic:	-60.7006

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