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Chemical ID: 3885233

Chemical ID:

3885233

Name [?]:

N-(4-fluorophenyl)-4-methyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene-8-carboxamide

SMILES [?]:

Cc1ccn2cc(nc2c1)C(=O)Nc3ccc(cc3)F

InChi [?]:

InChI=1/C15H12FN3O/c1-10-6-7-19-9-13(18-14(19)8-10)15(20)17-12-4-2-11(16)3-5-12/h2-9H,1H3,(H,17,20)

InChi Info:

AuxInfo=1/1/N:1,16,18,15,19,3,4,10,6,2,17,14,7,9,11,20,13,8,5,12/E:(2,3)(4,5)/rA:20nCCCCNCCNCCCONCCCCCCF/rB:s1;s2;d3;s4;s5;d6;s7;s5d8;d2s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₂FN₃O
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	8.44077
Area:	447.658
Solvation:	-2.75068
Coulombic:	-37.3833

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	269.274
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	2.49
LogP (Chemaxon):	3.4

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value