Basic information
- Standard SMILES
CC(C)(CO)COC1(c2ccc(Cl)cc2)c2ccccc2C(=O)N1Cc1ccc([N+](=O)[O-])cc1- InChIKey
IRPMFUWDEWHEJD-UHFFFAOYSA-N- Molecular formula
- C26H25ClN2O5
- Average molar mass
- 480.9 g/mol
- Monoisotopic mass
- 480.1451996
Names & identifiers
- Preferred name
- 3-(4-Chloro-phenyl)-3-(3-hydroxy-2,2-dimethyl-propoxy)-2-(4-nitro-benzyl)-2,3-dihydro-isoindol-1-one
- IUPAC
- 3-(4-chlorophenyl)-3-(3-hydroxy-2,2-dimethylpropoxy)-2-[(4-nitrophenyl)methyl]isoindol-1-one
Names & synonyms
CHEMBL1688273SCHEMBL2455185SCHEMBL12305345IRPMFUWDEWHEJD-UHFFFAOYSA-NBDBM111512BDBM50339368US8618158, NU8353(+/-)-3-(4-Chlorophenyl)-3-(3-hydroxy-2,2-dimethylpropoxy)-2-(4-nitrobenzyl)-2,3-dihydroisoindol-1-one3-(4-Chloro-phenyl)-3-(3-hydroxy-2,2-dimethyl-propoxy)-2-(4-nitro-benzyl)-2,3-dihydro-isoindol-1-one
Database identifiers
- PubChem CID
- 44595605
- ChEMBL
CHEMBL1688273
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 95.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 727
Related reactions
2 records
Compound notes
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