10-Chloro-2-(3-furylmethyl)-6-methyl-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-5-one

HCID 86617581
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Basic information

Standard SMILES
CN1C(=O)CCN(Cc2ccoc2)c2nc(Cl)ncc21
InChIKey
XTVGIDZDPRECDX-UHFFFAOYSA-N
Molecular formula
C13H13ClN4O2
Average molar mass
292.72 g/mol

Names & identifiers

Preferred name
10-Chloro-2-(3-furylmethyl)-6-methyl-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-5-one
IUPAC
2-chloro-9-(furan-3-ylmethyl)-5-methyl-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one

Names & synonyms

SCHEMBL3548429XTVGIDZDPRECDX-UHFFFAOYSA-N10-chloro-2-(3-furylmethyl)-6-methyl-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-5-one

Database identifiers

PubChem CID
86617581

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
62.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
20

Related reactions

1 records
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Linked notes

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