Basic information
- CAS
1408075-47-7- Standard SMILES
CCCCNC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1- InChIKey
FZKJYQKVIPMHPR-UHFFFAOYSA-N- Molecular formula
- C27H29Cl2N7O
- Average molar mass
- 538.5 g/mol
- Monoisotopic mass
- 537.181064
Names & identifiers
- Preferred name
- N-Butyl-N'-{1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]piperidin-4-yl}urea
- IUPAC
- 1-butyl-3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]urea
Names & synonyms
CHEMBL2180209SCHEMBL15201165DTXSID101126523BDBM50399520N-Butyl-N'-{1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]piperidin-4-yl}urea1408075-47-7N-Butyl-Na(2)-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-piperidinyl]urea
Database identifiers
- CAS
1408075-47-7- PubChem CID
- 71452011
- DTXSID
DTXSID101126523- ChEMBL
CHEMBL2180209
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 732
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…