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Chemical ID: 5562935

Chemical ID:

5562935

Name [?]:

4-[(2,6-dimethylmorpholin-4-yl)methyl]-7,8-dimethyl-chromen-2-one

SMILES [?]:

Cc1ccc2c(cc(=O)oc2c1C)CN3CC(OC(C3)C)C

InChi [?]:

InChI=1/C18H23NO3/c1-11-5-6-16-15(7-17(20)22-18(16)14(11)4)10-19-8-12(2)21-13(3)9-19/h5-7,12-13H,8-10H2,1-4H3

InChi Info:

AuxInfo=1/0/N:1,21,22,13,3,4,7,20,16,14,2,19,17,12,6,5,8,11,15,9,18,10/E:(2,3)(8,9)(12,13)/rA:22cCCCCCCCCOOCCCCNCCOCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;s8;d5s10;d2s11;s12;s6;s14;s15;s16;s17;s18;s15s19;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₃NO₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	2

ZAP Information [?]

Total:	8.06415
Area:	497.405
Solvation:	-4.37098
Coulombic:	-30.8079

Bond Count [?]

All:	24
Single:	19
Double:	5
Rotors:	2
Chiral:	0
Rigid Segments:	2

Chemical Properties

Molecular Weight:	301.38
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	2.63
LogP (Chemaxon):	3.42

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