Basic information
- Standard SMILES
CN1C(=O)C2(CCC2)CN(C2CCCC2)c2nc(Cl)ncc21- InChIKey
UUHZJNGKEAFXLN-UHFFFAOYSA-N- Molecular formula
- C16H21ClN4O
- Average molar mass
- 320.82 g/mol
Names & identifiers
- Preferred name
- 2'-Chloro-9'-cyclopentyl-5'-methyl-8',9'-dihydrospiro[cyclobutane-1,7'-pyrimido[4,5-b][1,4]diazepin]-6'(5'H)-one
- IUPAC
- 2-chloro-9-cyclopentyl-5-methylspiro[8H-pyrimido[4,5-b][1,4]diazepine-7,1'-cyclobutane]-6-one
Names & synonyms
SCHEMBL1204049UUHZJNGKEAFXLN-UHFFFAOYSA-N2'-Chloro-9'-cyclopentyl-5'-methyl-8',9'-dihydrospiro[cyclobutane-1,7'-pyrimido[4,5-b][1,4]diazepin]-6'(5'H)-one
Database identifiers
- PubChem CID
- 57969862
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 449
Related reactions
9 records
Linked notes
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