Basic information
- Standard SMILES
COc1ccc(C(=O)NCCNc2nc(Cl)nc3c2ncn3C2CCCC2)cc1- InChIKey
JAFOXORPADOCKD-UHFFFAOYSA-N- Molecular formula
- C20H23ClN6O2
- Average molar mass
- 414.9 g/mol
Names & identifiers
- Preferred name
- N-[2-[(2-chloro-9-cyclopentyl-9H-purin-6-yl)-amino]-ethyl]-4-methoxy-benzamide
- IUPAC
- N-[2-[(2-chloro-9-cyclopentylpurin-6-yl)amino]ethyl]-4-methoxybenzamide
Names & synonyms
SCHEMBL5196573JAFOXORPADOCKD-UHFFFAOYSA-NN-[2-[(2-chloro-9-cyclopentyl-9H-purin-6-yl)-amino]-ethyl]-4-methoxy-benzamide
Database identifiers
- PubChem CID
- 21923060
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 541
Related reactions
2 records
Compound notes
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