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Chemical ID: 3966370

Chemical ID:

3966370

Name [?]:

8-(dimethylaminomethyl)-7-methoxy-3-methyl-2-phenyl-chromen-4-one

SMILES [?]:

Cc1c(=O)c2ccc(c(c2oc1c3ccccc3)CN(C)C)OC

InChi [?]:

InChI=1/C20H21NO3/c1-13-18(22)15-10-11-17(23-4)16(12-21(2)3)20(15)24-19(13)14-8-6-5-7-9-14/h5-11H,12H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,21,22,24,16,15,17,14,18,6,7,19,2,13,5,9,8,3,12,10,20,4,23,11/E:(2,3)(6,7)(8,9)/rA:24nCCCOCCCCCCOCCCCCCCCNCCOC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;d2s11;s12;s13;d14;s15;d16;d13s17;s9;s19;s20;s20;s8;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₁NO₃
All Atoms:	24
Heavy Atoms:	24
Chiral Atoms:	0

ZAP Information [?]

Total:	9.13544
Area:	511.615
Solvation:	-3.65492
Coulombic:	-29.8811

Bond Count [?]

All:	26
Single:	18
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	323.386
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.44
LogP (Chemaxon):	3.72

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value