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Chemical ID: 6722257

Chemical ID:

6722257

Name [?]:

N-[2-(2-methyl-3,4,5,6-tetrahydro-2H-pyridin-1-yl)ethyl]-2-(9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-acetamide

SMILES [?]:

CC1CCCC[NH+]1CCNC(=O)CN2c3ccccc3OCC2=O

InChi [?]:

InChI=1/C18H25N3O3/c1-14-6-4-5-10-20(14)11-9-19-17(22)12-21-15-7-2-3-8-16(15)24-13-18(21)23/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,19,22)/p+1

InChi Info:

AuxInfo=1/1/N:1,17,18,4,5,3,16,19,9,6,8,13,22,2,15,20,11,23,10,7,14,12,24,21/rA:24cCCCCCCN+CCNCOCNCCCCCCOCCO/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;s14s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₆N₃O₃₊
All Atoms:	50
Heavy Atoms:	24
Chiral Atoms:	2

ZAP Information [?]

Total:	-19.552
Area:	538.651
Solvation:	-33.0183
Coulombic:	-15.7826

Bond Count [?]

All:	26
Single:	21
Double:	5
Rotors:	6
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	332.417
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	1.14
LogP (Chemaxon):	0.64

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value