10-Chloro-2-cyclopentyl-4,4-diethyl-6-methyl-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-5-one

HCID 86617563
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Basic information

Standard SMILES
CCC1(CC)CN(C2CCCC2)c2nc(Cl)ncc2N(C)C1=O
InChIKey
QWKNCJFRLUJEHU-UHFFFAOYSA-N
Molecular formula
C17H25ClN4O
Average molar mass
336.9 g/mol

Names & identifiers

Preferred name
10-Chloro-2-cyclopentyl-4,4-diethyl-6-methyl-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-5-one
IUPAC
2-chloro-9-cyclopentyl-7,7-diethyl-5-methyl-8H-pyrimido[4,5-b][1,4]diazepin-6-one

Names & synonyms

SCHEMBL3543736QWKNCJFRLUJEHU-UHFFFAOYSA-N10-chloro-2-cyclopentyl-4,4-diethyl-6-methyl-2,6,9,11-tetrazabicyclo[5.4.0]undeca-7,9,11-trien-5-one

Database identifiers

PubChem CID
86617563

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
49.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
23

Related reactions

4 records
New reaction record

Linked notes

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