Basic information
- CAS
131927-02-1- Standard SMILES
Cn1c(=O)c2c(ncn2CCC(=O)NC(COc2ccc(Cl)cc2)c2ccccc2)n(C)c1=O- InChIKey
XQVKIXRMYUPOMM-UHFFFAOYSA-N- Molecular formula
- C24H24ClN5O4
- Average molar mass
- 481.9 g/mol
- Monoisotopic mass
- 481.151682
Names & identifiers
- Preferred name
- 7H-Purine-7-propanamide, 1,2,3,6-tetrahydro-N-(2-(4-chlorophenoxy)-1-phenylethyl)-1,3-dimethyl-2,6-dioxo-
- IUPAC
- N-[2-(4-chlorophenoxy)-1-phenylethyl]-3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanamide
Names & synonyms
BRN 3639694131927-02-17H-Purine-7-propanamide, 1,2,3,6-tetrahydro-N-(2-(4-chlorophenoxy)-1-phenylethyl)-1,3-dimethyl-2,6-dioxo-RefChem:311450DTXSID20927402N-[2-(4-Chlorophenoxy)-1-phenylethyl]-3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)propanimidic acid
Database identifiers
- CAS
131927-02-1- PubChem CID
- 3076554
- DTXSID
DTXSID20927402
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 741
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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