(R)-N-[1-(1,4-benzodioxan-2-ylmethyl)piperidin-4-ylmethyl)-5-thia-1,8b-diazaacenaphthylene-4-carboxamide

HCID 9804407
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Basic information

Standard SMILES
O=C(NCC1CCN(C[C@@H]2COc3ccccc3O2)CC1)C1=Cc2cnc3cccc(n23)S1
InChIKey
UKOBCRLQDTYICS-LJQANCHMSA-N
Molecular formula
C25H26N4O3S
Average molar mass
462.6 g/mol

Names & identifiers

Preferred name
(R)-N-[1-(1,4-benzodioxan-2-ylmethyl)piperidin-4-ylmethyl)-5-thia-1,8b-diazaacenaphthylene-4-carboxamide
IUPAC
N-[[1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]-7-thia-2,12-diazatricyclo[6.3.1.04,12]dodeca-1,3,5,8,10-pentaene-6-carboxamide

Names & synonyms

(R)-N-[1-(1,4-benzodioxan-2-ylmethyl)piperidin-4-ylmethyl)-5-thia-1,8b-diazaacenaphthylene-4-carboxamide(r)-n-[1-(1,4-benzodioxan-2-ylmethyl)piperidin-4-ylmethyl]-5-thia-1,8b-diazaacenaphthylene-4-carboxamideSCHEMBL7985795UKOBCRLQDTYICS-LJQANCHMSA-N

Database identifiers

PubChem CID
9804407

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
93.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
33

Related reactions

2 records
New reaction record

Compound notes

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