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Chemical ID: 3885189

Chemical ID:

3885189

Name [?]:

(8-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-morpholino-methanone

SMILES [?]:

Cc1c(n2ccccc2n1)C(=O)N3CCOCC3

InChi [?]:

InChI=1/C13H15N3O2/c1-10-12(13(17)15-6-8-18-9-7-15)16-5-3-2-4-11(16)14-10/h2-5H,6-9H2,1H3

InChi Info:

AuxInfo=1/0/N:1,7,6,8,5,14,18,15,17,2,9,3,11,10,13,4,12,16/E:(6,7)(8,9)/rA:18nCCCNCCCCCNCONCCOCC/rB:s1;d2;s3;s4;d5;s6;d7;s4s8;s2d9;s3;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₅N₃O₂
All Atoms:	18
Heavy Atoms:	18
Chiral Atoms:	0

ZAP Information [?]

Total:	6.81995
Area:	408.299
Solvation:	-3.38752
Coulombic:	-36.6611

Bond Count [?]

All:	20
Single:	15
Double:	5
Rotors:	2
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	245.277
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	0.39
LogP (Chemaxon):	0.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value